SCHEMBL2178170

SCHEMBL2178170

CNc1nccc(-c2cc(NC(=O)CN3CCN(CCc4ccccn4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 4/20 0.40
TSHR P16473 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KCNA5 P22460 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2178573 0.89 TP53 (0.45) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2184977 0.89 KDR (0.42) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL2180443 0.88 ALDH1A1 (0.54) KMT2AKDM4EHPGDHIF1AALDH1A1
SCHEMBL2179011 0.88 POLB (0.43) KMT2AALDH1A1LMNAMEN1KCNA5
SCHEMBL2180895 0.88 KCNA5 (0.43) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2177158 0.87 KMT2A (0.41) KMT2AKDM4EHPGDHIF1AALDH1A1
SCHEMBL2180042 0.87 JAK2 (0.42) KMT2AMEN1TSHRKCNA5
SCHEMBL2181492 0.87 KMT2A (0.46) KMT2AKDM4EHPGDALDH1A1
SCHEMBL2178017 0.87 KCNA5 (0.41) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2176488 0.86 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2LMNAMEN1

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
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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

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 KMT2A 2050/4885KDM4E 2457/4885HPGD 225/4885

“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.