SCHEMBL3896811

SCHEMBL3896811

COC(=O)c1c(Br)cncc1Nc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ TAS1R3 Q7RTX0 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
SCHEMBL3893018 0.95 CXCL8 (0.40) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3887038 0.85 CXCL8 (0.47) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3884629 0.84 CDC7 (0.41) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3895292 0.80 HTT (0.43) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31613387 0.78 KDM4E (0.45) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26985120 0.78 KDM4E (0.45) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20187445 0.78 ATM (0.43) HTTRAB9AKDM4EMAPK1ALDH1A1
SCHEMBL3732479 0.77 KDM4E (0.50) HTTRAB9AMAPTKDM4EALDH1A1
SCHEMBL31394030 0.75 ATM (0.50) HTTRAB9AKDM4EMAPK1ALDH1A1
SCHEMBL14392325 0.72 CXCL8 (0.46) HTTNPC1RAB9ASMN1; SMN2MAPT

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-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 — — EP disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 — — 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 (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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 HTT 4456/4885NPC1 2736/4885RAB9A 1383/4885

“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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