SCHEMBL2228476

SCHEMBL2228476

CN1CCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.51
CHRNA7 P36544 1/20 0.51
LMNA P02545 1/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
COMT P21964 1/20 0.48
HTR6 P50406 2/20 0.48
CYP19A1 P11511 1/20 0.46
TACR1 P25103 2/20 0.46
CHKA P35790 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2227787 0.94 KDM4E (0.58) MC4RCHRNA7LMNATNKSPARP1
SCHEMBL28024574 0.91 COMT (0.53) TNKSPARP1TNKS2ALDH1A1DRD4
SCHEMBL20804350 0.91 COMT (0.53) TNKSPARP1TNKS2ALDH1A1DRD4
SCHEMBL20381979 0.87 KMT2A (0.60) CHRNA7TNKSPARP1TNKS2ALDH1A1
SCHEMBL16256955 0.84 DRD2 (0.49) TNKSPARP1TNKS2ALDH1A1DRD4
SCHEMBL2229998 0.84 ALDH1A1 (0.53) CHRNA7TNKSPARP1TNKS2ALDH1A1
SCHEMBL20237949 0.84 CYP19A1 (0.50) CHRNA7TNKSPARP1TNKS2ALDH1A1
SCHEMBL27896878 0.84 COMT (0.46) TNKSPARP1TNKS2ALDH1A1COMT
SCHEMBL22642414 0.83 COMT (0.48) TNKSPARP1TNKS2ALDH1A1DRD4
SCHEMBL20328137 0.83 COMT (0.48) TNKSPARP1TNKS2ALDH1A1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 EP disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 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-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
CN-105722835-A 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use 癌症研究协会:皇家癌症医院 2016-06-29 CN disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 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 (4 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MC4R 1447/4885CHRNA7 2736/4885LMNA 2697/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 MC4R 1194/4885CHRNA7 3038/4885LMNA 2693/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MC4R 1447/4885CHRNA7 2736/4885LMNA 2697/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 MC4R 1235/4885CHRNA7 2968/4885LMNA 2727/4885

“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.