SCHEMBL2179737

SCHEMBL2179737

COc1ccc2cc(-c3ccnc(NCCc4ccc(OC)c(OC)c4)n3)cc(N3CCOCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALOX15 P16050 2/20 0.56
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MKNK1 Q9BUB5 3/20 0.45
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.44

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
SCHEMBL12489529 0.93 MEN1 (0.47) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2179106 0.93 DYRK1A (0.52) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2179474 0.93 PTGDR (0.50) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2177110 0.91 MKNK1 (0.47) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2176973 0.90 CCNT1 (0.50) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2175611 0.88 CCNT1 (0.47) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2181087 0.87 MTOR (0.47) MEN1KMT2AALOX15CCNT1CCNA2
SCHEMBL2179063 0.86 DYRK1A (0.53) CCNT1CDK9MKNK1DYRK1ACLK4
SCHEMBL2178720 0.86 PIK3CA (0.50) CCNT1CCNA2CDK2CDK9MKNK1
SCHEMBL2176822 0.86 MKNK1 (0.49) CCNT1CDK9MKNK1DYRK1ACLK4

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-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
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 WO 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 MEN1 2168/4885KMT2A 2050/4885ALOX15 1713/4885

“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.