SCHEMBL3143129

SCHEMBL3143129

COc1cc2c(cc1OC)CCN(Cc1ccc(N)cc1)CC2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
ABCB1 P08183 12/20 0.61
ABCG2 Q9UNQ0 4/20 0.61
ABCC1 P33527 3/20 0.61
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
REV1 Q9UBZ9 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL3810641 0.93 KMT2A (0.76) KMT2AABCB1ABCG2ABCC1KDM4E
SCHEMBL17146884 0.89 ABCB1 (0.79) KMT2AABCB1ABCG2ABCC1KDM4E
Verilopam SCHEMBL489188 0.85 ABCB1 (0.68) KMT2AABCB1ABCG2
Verilopam SCHEMBL29658195 0.84 ABCB1 (0.67) KMT2AABCB1ABCG2
Verilopam SCHEMBL121615 0.84 ABCB1 (0.67) KMT2AABCB1ABCG2
SCHEMBL3148037 0.84 HDAC1 (0.65) ABCB1ABCG2ABCC1LMNA
Verilopam SCHEMBL11385505 0.84 ABCB1 (0.67) KMT2AABCB1ABCG2
SCHEMBL2771882 0.82 ABCB1 (0.78) KMT2AABCB1ABCG2
Hydrochloric Acid SCHEMBL10661663 0.81 ABCB1 (0.76) KMT2AABCB1ABCG2
SCHEMBL3148573 0.81 LMNA (0.59) KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 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 (1 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KMT2A 3530/4885ABCB1 329/4885ABCG2 134/4885

“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.