SCHEMBL3716684

SCHEMBL3716684

CC1CN(CC(N)=O)CC(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
BIRC2 Q13490 1/20 0.39
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MAPK8 P45983 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL14861325 0.81 BIRC2 (0.40) KDM4EBIRC2TSHRSIGMAR1MEN1
SCHEMBL13993999 0.81 BIRC2 (0.40) KDM4EBIRC2TSHRSIGMAR1MEN1
SCHEMBL14754887 0.80
SCHEMBL6378202 0.80 L3MBTL1 (0.47) KDM4EBIRC2TSHRPOLBSIGMAR1
SCHEMBL25013411 0.78 BIRC2 (0.38) KDM4EBIRC2TSHRSIGMAR1MEN1
SCHEMBL23387029 0.76 BIRC2 (0.37) BIRC2TSHRPOLBSIGMAR1MEN1
SCHEMBL3378729 0.75 MAPK8 (0.51) KDM4EPOLBMAPK8SIGMAR1MEN1
SCHEMBL31053594 0.75 KDM4E (0.41) KDM4EAPEX1BLMTSHRPOLB
SCHEMBL3378727 0.75 MAPK8 (0.51) KDM4EPOLBMAPK8SIGMAR1MEN1
SCHEMBL14861559 0.73 HSD11B1 (0.45) KDM4EALDH1A1MAPK1SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN claimed
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN disclosed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
WO-2010120387-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
EP-1255752-B1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2007-08-08 EP disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 US disclosed
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP disclosed
CN-1541098-A Combination therapy for treatment of cancer �ո��� 2004-10-27 CN disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 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 (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-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KDM4E 1307/4885BIRC2 1003/4885APEX1 1397/4885
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KDM4E 1069/4885BIRC2 908/4885APEX1 1449/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 KDM4E 1457/4885BIRC2 1393/4885APEX1 4288/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KDM4E 1307/4885BIRC2 1003/4885APEX1 1397/4885

“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.