SCHEMBL3315913

SCHEMBL3315913

CC(C)NC(=O)C1CCCN(C)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
F2R P25116 2/20 0.41
THRB P10828 1/20 0.40
BCHE P06276 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL14883715 0.91 KMT2A (0.56) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18390288 0.83 MEN1 (0.49) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL25662545 0.82 TSHR (0.45) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2600287 0.81 BCHE (0.56) TSHRKDM4ESMN1; SMN2ITGB3ITGA2B
SCHEMBL26971791 0.81 BCHE (0.56) TSHRKDM4ESMN1; SMN2ITGB3ITGA2B
SCHEMBL23260539 0.81 TSHR (0.60) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20315439 0.81 TSHR (0.60) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL21486168 0.81 TSHR (0.60) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19550801 0.80 BCHE (0.41) TSHRKDM4ESMN1; SMN2ITGB3ITGA2B
SCHEMBL2600259 0.80 BCHE (0.41) TSHRKDM4ESMN1; SMN2ITGB3ITGA2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
US-20110237598-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 US 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 (5 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TSHR 1622/4885KDM4E 695/4885MEN1 1015/4885
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 TSHR 140/4885KDM4E 1650/4885MEN1 1612/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF TSHR 1622/4885KDM4E 695/4885MEN1 1015/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TSHR 1622/4885KDM4E 695/4885MEN1 1015/4885
US-20110237598-A1 NEW COMPOUNDS CCNA1, MKI67, CCNE1 TSHR 2075/4885KDM4E 2708/4885MEN1 305/4885

“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.