SCHEMBL3684960

SCHEMBL3684960

COc1ccc(Cn2ncc3c(-c4cccnc4F)ncnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
SIGMAR1 Q99720 4/20 0.49
ACVR1B P36896 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
ABL1 P00519 3/20 0.43
BCR P11274 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 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
SCHEMBL3638191 0.80 HPGD (0.54) HPGDACVR1BTGFBR1ACVRL1ACVR1
SCHEMBL16879373 0.75 XDH (0.62) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL17395029 0.75 NPBWR1 (0.48) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL1943995 0.71 LMNA (0.54) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL1944851 0.70 LMNA (0.53) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL16620668 0.70 LMNA (0.53) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL2804703 0.68 ALDH1A1 (0.49) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL23123907 0.68 KDM4C (0.48) MAPT
SCHEMBL19233428 0.68 SIGMAR1 (0.36) SIGMAR1ACVR1BTGFBR1ACVRL1ACVR1
SCHEMBL29786346 0.68 KDM4C (0.48) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 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 (2 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF LMNA 2354/4885ALDH1A1 1799/4885MAPT 4269/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF LMNA 2286/4885ALDH1A1 1825/4885MAPT 4233/4885

“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.