SCHEMBL2177805

SCHEMBL2177805

CNc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 4/20 0.38
KDM4E B2RXH2 2/20 0.38
EIF2AK2 P19525 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KIT P10721 3/20 0.35
NOD2 Q9HC29 1/20 0.35
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EZH2 Q15910 1/20 0.34

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
SCHEMBL2179534 0.89 ADRB2 (0.43) MAPK1EIF2AK2KIT
SCHEMBL2180148 0.84 EIF2AK2 (0.39) EIF2AK2KITCCNCCDK8EZH2
SCHEMBL6128585 0.82 MAPT (0.45) MAPTMAPK1EIF2AK2CCNCCDK8
SCHEMBL12489868 0.82 EIF2AK2 (0.39) EIF2AK2CCNCCDK8EZH2
SCHEMBL2179213 0.82 EIF2AK2 (0.39) EIF2AK2CCNCCDK8EZH2
SCHEMBL2179297 0.81 EIF2AK2 (0.41) MAPTNPC1KDM4EEIF2AK2CCNC
SCHEMBL6126567 0.81 IKBKB (0.48) EIF2AK2EZH2
SCHEMBL2180520 0.81 EIF2AK2 (0.37) EIF2AK2KITCCNCCDK8EZH2
SCHEMBL12486630 0.80 CCNC (0.38) RAB9ANPC1EIF2AK2CCNCCDK8
SCHEMBL2181275 0.80 EZH2 (0.40) EIF2AK2CCNCCDK8EZH2

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-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US claimed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP MAPT 2185/4885RAB9A 2883/4885NPC1 83/4885

“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.