SCHEMBL14770745

SCHEMBL14770745

Cc1ccc(Nc2cc(C(=O)O)ncn2)cn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.60
GRM5 P41594 1/20 0.43
SORT1 Q99523 1/20 0.43
S1PR1 P21453 1/20 0.43
SYK P43405 1/20 0.42
DOT1L Q8TEK3 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL13472425 0.83 KMO (0.60) KMOS1PR1KCNQ3KCNQ2EGFR
SCHEMBL13472418 0.82 KMO (0.56) KMOMAPK8MAPK10EGFRERBB3
SCHEMBL21645363 0.81 KMO (0.65) KMOMAPK10EGFRERBB3P4HTM
SCHEMBL13472424 0.80 ABL1 (0.57) KMOEGFRERBB3
SCHEMBL13474095 0.80 KMO (0.56) KMOS1PR1KCNQ3KCNQ2EGFR
SCHEMBL3221134 0.79 KMO (0.67) KMOS1PR1EGFRERBB3MEN1
SCHEMBL3635773 0.79 P4HTM (0.55) SORT1P4HTMNPC1RAB9A
SCHEMBL3226900 0.79 KMO (0.66) KMOS1PR1EGFRERBB3MEN1
SCHEMBL13472427 0.76 KMO (0.62) KMOS1PR1EGFRERBB3MEN1
SCHEMBL12907708 0.74 BACE1 (0.57) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF KMO 3678/4885GRM5 4236/4885SORT1 3524/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMO 3678/4885GRM5 4236/4885SORT1 3524/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMO 3678/4885GRM5 4236/4885SORT1 3524/4885

“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.