SCHEMBL14769593

SCHEMBL14769593

Nc1ccc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KDR P35968 2/20 0.51
TNNI3K Q59H18 1/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
TTBK1 Q5TCY1 2/20 0.49
TTBK2 Q6IQ55 2/20 0.49
SCN5A Q14524 2/20 0.49
TEK Q02763 1/20 0.49
MAOA P21397 1/20 0.49
EGFR P00533 4/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1896051 0.94 MEN1 (0.55) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL3487003 0.92 MEN1 (0.61) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL8219021 0.87 NPC1 (0.58) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL12262588 0.87 EGFR (0.51) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL3182550 0.86 MEN1 (0.66) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL12664956 0.86 SCN9A (0.52) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL30046349 0.84 SCN9A (0.76) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL1894703 0.83 SCN9A (0.49) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL4935146 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL691344 0.81 MEN1 (0.59) SCN9AMEN1KMT2ANPC1RAB9A

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-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, 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 (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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SCN9A 3665/4885MEN1 606/4885KMT2A 3318/4885

“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.