SCHEMBL2177288

SCHEMBL2177288

CNc1nccc(-c2cc(NC(=O)CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 1/20 0.37
APP P05067 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2179413 0.88 MAPT (0.41) MAPK1MAPTLMNATDP1ALDH1A1
SCHEMBL2178631 0.86 SMN1; SMN2 (0.45) MAPK1MAPTLMNATDP1ALDH1A1
SCHEMBL2179340 0.86 MAPK1 (0.44) MAPK1MAPTLMNATDP1ALDH1A1
SCHEMBL2179634 0.85 TSHR (0.46) MAPK1MAPTLMNATDP1ALDH1A1
SCHEMBL2184977 0.84 KDR (0.42) MAPTLMNATDP1ALDH1A1KDM4E
SCHEMBL2178573 0.84 TP53 (0.45) MAPTLMNATDP1ALDH1A1KDM4E
SCHEMBL2180443 0.84 ALDH1A1 (0.54) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2179087 0.83 KMT2A (0.42) MAPTLMNATDP1ALDH1A1KDM4E
SCHEMBL2180895 0.83 KCNA5 (0.43) MAPTLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL2180704 0.83 ATM (0.46) MAPTLMNATDP1ALDH1A1KDM4E

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
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

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 MAPK1 3178/4885MAPT 2185/4885LMNA 1134/4885

“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.