SCHEMBL12724845

SCHEMBL12724845

Cc1cc2nc(C(C)C)[nH]c2cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 1/20 0.62
FABP6 P51161 1/20 0.55
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MCL1 Q07820 1/20 0.53
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45

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
SCHEMBL5990707 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL16599647 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL5989926 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL17300677 0.85 HSD17B10 (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL13542756 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL18596019 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL12938095 0.85 KDM4E (0.69) KDM4EHSD17B10LMNAMEN1MAPT
SCHEMBL6511841 0.85 CYP1A2 (0.65) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL1524038 0.85 FABP6 (0.52) KDM4EHSD17B10LMNAFABP6MEN1
SCHEMBL12335533 0.85 CYP1A2 (0.65) KDM4EHSD17B10LMNAFABP6MEN1

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
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7214691-B2 2-substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2007-05-08 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDM4E 1618/4885HSD17B10 255/4885LMNA 170/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC KDM4E 728/4885HSD17B10 4050/4885LMNA 1523/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC KDM4E 951/4885HSD17B10 4012/4885LMNA 659/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 KDM4E 115/4885HSD17B10 2700/4885LMNA 3348/4885

“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.