SCHEMBL12252445

SCHEMBL12252445

O=C(c1ccc(CCc2ccccc2F)nc1)c1c[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ BRAF P15056 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ NEK2 P51955 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MET P08581 1/20 0.39
▸ VNN1 O95497 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CAMKK2 Q96RR4 2/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL12252447 0.85 BRAF (0.45) MAP2K1BRAFNEK2KDRGSK3B
SCHEMBL4531204 0.83 CDC7 (0.48) MAP2K1KDM4EBRAFCCNE1CDK2
SCHEMBL15102136 0.83 AAK1 (0.44) MTNR1AGSK3B
SCHEMBL3855710 0.78 MAP2K1 (0.40) MAP2K1BRAFCCNE1CDK2CDC7
SCHEMBL12646997 0.75 MAP2K1 (0.58) MAP2K1BRAFCCNE1CDK2ADORA2A
SCHEMBL857593 0.75 MAP2K1 (0.55) MAP2K1BRAFCCNE1CDK2ADORA2A
SCHEMBL857351 0.75 MAP2K1 (0.57) MAP2K1KDM4EBRAFCCNE1CDK2
SCHEMBL1266725 0.74 MAP2K1 (0.53) MAP2K1BRAFCCNE1CDK2ADORA2A
SCHEMBL858716 0.74 MAP2K1 (0.53) MAP2K1CCNE1CDK2CDC7ADORA2A
SCHEMBL878925 0.73 KIF20A (0.59) MAP2K1CCNE1CDK2ADORA2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 — — US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 — — US disclosed
US-9169250-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2015-10-27 — — US disclosed
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2015-09-24 — — US disclosed
US-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2014-08-28 — — US disclosed
US-8722702-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2014-05-13 — — US disclosed
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. (US) 2013-07-11 — — US disclosed
US-8461169-B2 Compounds modulating c-fms and/or c-kit activity PLEXXIKON INC. (US) 2013-06-11 — — US disclosed
US-8404700-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2013-03-26 — — US disclosed
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 — — 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 (6 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-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MAP2K1 746/4885KDM4E 2463/4885BRAF 28/4885
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MAP2K1 746/4885KDM4E 2463/4885BRAF 28/4885
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MAP2K1 746/4885KDM4E 2463/4885BRAF 28/4885
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MAP2K1 746/4885KDM4E 2463/4885BRAF 28/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER MAP2K1 602/4885KDM4E 1698/4885BRAF 12/4885
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MAP2K1 746/4885KDM4E 2463/4885BRAF 28/4885

“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.

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