SCHEMBL1017722

SCHEMBL1017722

CSc1ccc(Cl)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
USP7 Q93009 1/20 0.41
CYP2A6 P11509 1/20 0.41
VCAM1 P19320 1/20 0.41
CYP2C9 P11712 1/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL6229277 0.84 MAOA (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL30122081 0.84 MAOA (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL1017624 0.81 KDM4E (0.45) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL16952093 0.80 CCR2 (0.39) MEN1KMT2AKDM4ECYP3A4CYP2D6
SCHEMBL1017712 0.79 KDM4E (0.44) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL7087447 0.78 KMT2A (0.45) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL16954607 0.78 ALDH1A1 (0.40) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL15357992 0.77 AR (0.44) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL5637278 0.76 MAOB (0.42) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL18346209 0.76 KDM4E (0.59) MEN1KMT2AKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
CN-102066327-B Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (6 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH MEN1 4217/4885KMT2A 2429/4885KDM4E 2269/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 MEN1 818/4885KMT2A 2082/4885KDM4E 3069/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 MEN1 871/4885KMT2A 2344/4885KDM4E 3437/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 MEN1 818/4885KMT2A 2082/4885KDM4E 3069/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MEN1 4217/4885KMT2A 2429/4885KDM4E 2269/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 MEN1 818/4885KMT2A 2082/4885KDM4E 3069/4885

“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.