SCHEMBL10095082

SCHEMBL10095082

c1ccc(-c2ncc3cnccn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 8/20 0.66
MAPT P10636 6/20 0.66
LIMK1 P53667 2/20 0.66
MAPK14 Q16539 2/20 0.66
CHEK1 O14757 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 2/20 0.50
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 2/20 0.49
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DYRK1B Q9Y463 3/20 0.46
KDR P35968 3/20 0.46

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
SCHEMBL11534549 0.79 KDM4E (1.00) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL948580 0.75 KDM4E (0.77) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL731202 0.72 KDM4E (0.62) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL30498955 0.71 KDM4E (0.47) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL12920662 0.71 CYP2E1 (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13266511 0.69 KDM4E (0.57) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL30980040 0.69 ALDH1A1 (0.39) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL2363783 0.69 KDM4E (0.57) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL14985188 0.69 LIMK1 (0.49) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL12386776 0.69 KDM4E (0.49) KDM4EALDH1A1MAPTLIMK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261185-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2022-03-01 US disclosed
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
US-10829489-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2020-11-10 US disclosed
US-10829489-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2020-11-10 US disclosed
US-20200062756-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
US-20200062756-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
EP-3328857-B1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2019-08-14 EP disclosed
EP-3328857-B1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2019-08-14 EP disclosed
US-20190010151-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2019-01-10 US disclosed
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO 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-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 KDM4E 1395/4885ALDH1A1 177/4885MAPT 3946/4885
US-20200062756-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 KDM4E 1395/4885ALDH1A1 177/4885MAPT 3946/4885
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK KDM4E 355/4885ALDH1A1 2745/4885MAPT 1743/4885
US-10829489-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 KDM4E 1395/4885ALDH1A1 177/4885MAPT 3946/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK KDM4E 355/4885ALDH1A1 2745/4885MAPT 1743/4885
US-20190010151-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 KDM4E 1395/4885ALDH1A1 177/4885MAPT 3946/4885
US-11261185-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 KDM4E 1395/4885ALDH1A1 177/4885MAPT 3946/4885

“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.