SCHEMBL2055586

SCHEMBL2055586

CNC(C)(C)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC6 Q9UBN7 1/20 0.40
CHRM2 P08172 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
IMPDH2 P12268 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24449646 0.81 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2
SCHEMBL19354642 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HDAC6CHRM2HRH3
SCHEMBL19862563 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HDAC6CHRM2IMPDH2
SCHEMBL6177476 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1HDAC6CHRM2HRH3
SCHEMBL24451411 0.78 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1HDAC6CHRM2HRH3
SCHEMBL2395887 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2HRH3ALDH1A1
SCHEMBL31645911 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1LMNA
SCHEMBL29349628 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1LMNA
SCHEMBL29080 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1LMNA
SCHEMBL28883610 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 WO disclosed
US-11396501-B2 Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2022-07-26 US disclosed
EP-3687540-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CGeneTech (Suzhou, China) Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 WO disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 WO disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20100130560-A1 FUNGICIDE 2-PYRIDYL-METHYLENE-THIO CARBOXAMIDE OR 2-PYRIDYL-METHYLENE-N-SUBSTITUTED CARBOXIMIDAMIDE DERIVATIVES BAYER SAS (FR) 2010-05-27 US disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR SMN1; SMN2 4089/4885L3MBTL1 4686/4885HDAC6 1234/4885
US-11396501-B2 Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same CXCR4, CXCL12, CXCR1 SMN1; SMN2 2758/4885L3MBTL1 4527/4885HDAC6 399/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR SMN1; SMN2 4292/4885L3MBTL1 4769/4885HDAC6 1116/4885
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CXCR4, CXCL12, CXCR1 SMN1; SMN2 2758/4885L3MBTL1 4527/4885HDAC6 399/4885
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP SMN1; SMN2 3890/4885L3MBTL1 2143/4885HDAC6 363/4885
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives CYP51A1, ME2, ME3 SMN1; SMN2 2716/4885L3MBTL1 3507/4885HDAC6 893/4885
US-20100130560-A1 FUNGICIDE 2-PYRIDYL-METHYLENE-THIO CARBOXAMIDE OR 2-PYRIDYL-METHYLENE-N-SUBSTITUTED CARBOXIMIDAMIDE DERIVATIVES CBR3, CBR1, CNPY2 SMN1; SMN2 3172/4885L3MBTL1 1819/4885HDAC6 1011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.