SCHEMBL3885458

SCHEMBL3885458

COc1ccc(Nc2cnccc2C(=O)NN)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.49
MAP2K1 Q02750 1/20 0.49
PRKCZ Q05513 1/20 0.49
IARS2 Q9NSE4 1/20 0.49
DHODH Q02127 3/20 0.48
KDM4C Q9H3R0 5/20 0.46
NUDT1 P36639 1/20 0.46
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
ABCB1 P08183 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
LMNA P02545 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL2026968 0.82 MAP2K1 (0.52) MAP2K2MAP2K1PRKCZIARS2DHODH
SCHEMBL2023267 0.82 MAP2K1 (0.69) MAP2K2MAP2K1PRKCZIARS2NUDT1
Hydrochloric Acid SCHEMBL2018907 0.81 MAP2K1 (0.68) MAP2K2MAP2K1PRKCZIARS2NUDT1
SCHEMBL15476956 0.78 KDM4C (0.50) MAP2K2MAP2K1PRKCZIARS2DHODH
SCHEMBL16657402 0.76 EGFR (0.50) NUDT1ABCB1
SCHEMBL2022441 0.76 MAP2K1 (0.54) MAP2K2MAP2K1PRKCZIARS2DHODH
SCHEMBL3723102 0.76 DHODH (0.66) DHODHABCB1
SCHEMBL9943607 0.76 DHODH (0.65) DHODHABCB1
SCHEMBL2018997 0.75 MAP2K1 (0.53) MAP2K2MAP2K1PRKCZIARS2DHODH
SCHEMBL1691639 0.75 CPS1 (0.56) POLBSMN1; SMN2KDM4EALDH1A1LMNA

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 4 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
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
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 MAP2K2 27/4885MAP2K1 40/4885PRKCZ 1154/4885

“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.