SCHEMBL4465741

SCHEMBL4465741

O=CNCCCN1CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH7 P40394 2/20 0.35
MEN1 O00255 3/20 0.35
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2652407 0.89 ALDH1A1 (0.47) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL14426104 0.81 KMT2A (0.41) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL10941097 0.80 KMT2A (0.42) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6285538 0.79 KMT2A (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL13843636 0.79 ALDH1A1 (0.47) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL7261352 0.79 ALDH1A1 (0.47) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6287263 0.79 KMT2A (0.46) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL16588387 0.79 KMT2A (0.42) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL15153625 0.78 KDM4E (0.41) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL6287265 0.78 KMT2A (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885RAB9A 1112/4885ALDH1A1 1738/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KMT2A 2261/4885RAB9A 1328/4885ALDH1A1 2848/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KMT2A 2242/4885RAB9A 1276/4885ALDH1A1 2793/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KMT2A 2242/4885RAB9A 1276/4885ALDH1A1 2793/4885

“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.