Sugi Predict

Sugi Predict / Compounds / SCHEMBL2927387

SCHEMBL2927387

SCHEMBL2927387

CCc1ccc(CN2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.66
▸ CXCR4 P61073 12/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ HRH3 Q9Y5N1 2/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ ADRA2C P18825 1/20 0.65
▸ CCR2 P41597 1/20 0.65
▸ CXCL12 P48061 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ POLB P06746 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48

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
Hydrochloric Acid SCHEMBL27883541 0.98 CXCR4 (0.66) SIGMAR1CXCR4MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL2925193 0.98 CXCR4 (0.66) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL22251731 0.98 CXCR4 (0.68) SIGMAR1CXCR4MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL28800008 0.96 CXCR4 (0.64) SIGMAR1CXCR4MEN1KMT2AHRH3
Methane SCHEMBL27900817 0.94 CXCR4 (0.62) SIGMAR1CXCR4MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL5573232 0.87 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL1259387 0.87 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2AHRH3
Bromide SCHEMBL1257550 0.85 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL24627237 0.84 SIGMAR1 (0.55) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL245919 0.84 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 — — US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
EP-3241554-A1 QUINOLINE-8-SULFONAMIDE DERIVATES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2017-11-08 — — EP disclosed
US-9587035-B2 Assay for benzylpiperazine and metabolites RANDOX LABORATORIES LIMITED (GB) 2017-03-07 — — US disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 — — EP disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 — — US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 — — US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 — — US disclosed
US-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 — — US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 — — US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 — — WO disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 — — WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 — — 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 (8 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-20160024024-A1 Novel Choline Kinase Inhibitors CHKA, CHKB, CEPT1 SIGMAR1 2499/4885CXCR4 3749/4885MEN1 1547/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885CXCR4 1170/4885MEN1 4047/4885
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SIGMAR1 2689/4885CXCR4 4614/4885MEN1 4834/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885CXCR4 1170/4885MEN1 4047/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 SIGMAR1 4683/4885CXCR4 1784/4885MEN1 1165/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885CXCR4 1170/4885MEN1 4047/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 SIGMAR1 3941/4885CXCR4 4426/4885MEN1 2327/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 SIGMAR1 791/4885CXCR4 2/4885MEN1 2799/4885

“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.

Send feedback