SCHEMBL1200127

SCHEMBL1200127

c1cnc(-c2ccc(N3CCNCC3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.56
ADRB2 P07550 1/20 0.56
NCF1 P14598 1/20 0.56
ADRB1 P08588 3/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
CETP P11597 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
PIM1 P11309 2/20 0.50
PIM3 Q86V86 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL21956060 0.83 CETP (0.60) PLD1ADRB2NCF1ADRB1HTR3E
Hydrochloric Acid SCHEMBL28605924 0.83 ADRB2 (0.53) PLD1ADRB2NCF1ADRB1HTR3E
Hydrochloric Acid SCHEMBL21876097 0.81 CETP (0.59) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL13118681 0.81 HTR7 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29386933 0.81 HTR7 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13092430 0.81 ADRB1 (0.61) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL21268795 0.81 HTR7 (0.71) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL13118650 0.81 CHRNB2 (0.57) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL1198696 0.81 ACVR1 (0.49) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL15245011 0.80 ADRB1 (0.68) PLD1ADRB2NCF1ADRB1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243816-A1 PROCESS FOR PREPARING A SUBSTITUTED AROMATIC OR HETEROAROMATIC HYDROCARBON AND ITS USE Studiengesellschaft Kohle mbH (DE) 2017-11-15 EP disclosed
EP-3243816-A1 PROCESS FOR PREPARING A SUBSTITUTED AROMATIC OR HETEROAROMATIC HYDROCARBON AND ITS USE Studiengesellschaft Kohle mbH (DE) 2017-11-15 EP disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (3 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 PLD1 483/4885ADRB2 3465/4885NCF1 1633/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PLD1 371/4885ADRB2 3092/4885NCF1 1240/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PLD1 371/4885ADRB2 3092/4885NCF1 1240/4885

“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.