SCHEMBL538983

SCHEMBL538983

CN(c1c[nH]c2ccccc12)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 2/20 0.61
KMT2A Q03164 2/20 0.61
APAF1 O14727 1/20 0.61
RECQL P46063 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MPO P05164 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
ALOX15 P16050 1/20 0.52
TACR1 P25103 2/20 0.52
DNMT1 P26358 3/20 0.51

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
SCHEMBL21411535 0.88 KDM4E (0.63) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL3855611 0.87 KDM4E (0.68) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL29212821 0.87 KDM4E (0.68) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL3855614 0.87 KDM4E (0.68) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL29787090 0.84 KDM4E (0.64) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL28163928 0.84 KDM4E (0.64) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL22384094 0.83 KDM4E (0.67) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL31018783 0.83 KDM4E (0.63) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL29212839 0.83 KDM4E (0.63) KDM4EMAPTPOLBKMT2AAPAF1
SCHEMBL31018781 0.83 KDM4E (0.63) KDM4EMAPTPOLBKMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746079-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS Bayer Aktiengesellschaft (DE) 2020-12-09 EP claimed
WO-2019149637-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-08 WO claimed
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US claimed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US claimed
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
EP-3194378-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-26 EP claimed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 WO claimed
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 WO disclosed
US-20150141431-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2015-05-21 US disclosed
EP-2413711-A1 DIPEPTIDE AS FEEDSTUFF ADDITIVE Evonik Degussa GmbH (DE) 2012-02-08 EP disclosed
WO-2010112365-A1 DIPEPTIDE AS FEEDSTUFF ADDITIVE EVONIK DEGUSSA GMBH (DE) 2010-10-07 WO disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 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 (7 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 KDM4E 1572/4885MAPT 4727/4885POLB 3029/4885
US-20150141431-A1 PYRAZINOISOQUINOLINE COMPOUNDS H1-5, MTX2, H1-4 KDM4E 1034/4885MAPT 4507/4885POLB 2573/4885
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 KDM4E 2538/4885MAPT 1251/4885POLB 2816/4885
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BUB1, BUB1B, BUB3 KDM4E 1627/4885MAPT 450/4885POLB 589/4885
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1627/4885MAPT 450/4885POLB 589/4885
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1582/4885MAPT 597/4885POLB 811/4885
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1582/4885MAPT 597/4885POLB 811/4885

“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.