SCHEMBL2179634

SCHEMBL2179634

CNc1nccc(-c2cc(NC(=O)CN3CCN(c4ccncc4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
ITK Q08881 1/20 0.41
REV1 Q9UBZ9 1/20 0.41

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 0.90 MAPT (0.41) TSHRMAPTUSP2KMT2AMEN1
SCHEMBL2179011 0.89 POLB (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2180337 0.89 KDM4E (0.43) TSHRMAPTUSP2KMT2AMEN1
SCHEMBL2181492 0.88 KMT2A (0.46) KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL2178573 0.88 TP53 (0.45) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2184977 0.88 KDR (0.42) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL2176734 0.88 AURKA (0.43) TSHRMAPTUSP2KMT2AMEN1
SCHEMBL2180443 0.88 ALDH1A1 (0.54) TSHRMAPTUSP2KMT2AMEN1
SCHEMBL2180704 0.87 ATM (0.46) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2179087 0.87 KMT2A (0.42) TSHRMAPTUSP2KMT2AMEN1

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 TSHR 4282/4885MAPT 2185/4885USP2 4576/4885

“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.