SCHEMBL3752704

SCHEMBL3752704

Nc1ccc(-c2nnn(-c3cccnc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.73
CHRNA5 P30532 3/20 0.73
CHRNA4 P43681 3/20 0.73
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
MAPT P10636 3/20 0.51
GRM5 P41594 4/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.42
PKM P14618 1/20 0.40

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
SCHEMBL31051688 0.83 NPC1 (0.61) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2036415 0.80 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2033604 0.79 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2040551 0.79 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2037831 0.77 CHRNB2 (0.64) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2035283 0.76 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2037066 0.76 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2040333 0.76 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
Fumaric Acid SCHEMBL2038382 0.74 CHRNB2 (0.77) CHRNB2CHRNA5CHRNA4NPC1RAB9A
Fumaric Acid SCHEMBL2038380 0.74 CHRNB2 (0.77) CHRNB2CHRNA5CHRNA4NPC1RAB9A

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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CHRNB2 4070/4885CHRNA5 4301/4885CHRNA4 4654/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CHRNB2 4070/4885CHRNA5 4301/4885CHRNA4 4654/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CHRNB2 4070/4885CHRNA5 4301/4885CHRNA4 4654/4885

“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.