SCHEMBL2178017

SCHEMBL2178017

CNc1nccc(-c2cc(NC(=O)CN3CCN(CCc4cccs4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.41
USP2 O75604 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
JAK2 O60674 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2179011 0.88 POLB (0.43) KCNA5MAPTLMNAJAK2HDAC1
SCHEMBL2180895 0.88 KCNA5 (0.43) KCNA5MAPTLMNAJAK2HDAC1
SCHEMBL2181492 0.87 KMT2A (0.46) L3MBTL1ALDH1A1KMT2A
SCHEMBL2178573 0.87 TP53 (0.45) KCNA5MAPTLMNAJAK2HDAC1
SCHEMBL2184977 0.87 KDR (0.42) KCNA5MAPTLMNAJAK2HDAC1
SCHEMBL2178170 0.87 KMT2A (0.43) KCNA5LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2177158 0.86 KMT2A (0.41) KCNA5MAPTLMNAJAK2HDAC1
SCHEMBL2180042 0.86 JAK2 (0.42) KCNA5JAK2HDAC1HDAC6KMT2A
SCHEMBL2181105 0.85 MAPK13 (0.46) L3MBTL1ALDH1A1KMT2A
SCHEMBL2176488 0.85 KMT2A (0.40) KCNA5USP2MAPTLMNAJAK2

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 KCNA5 4352/4885USP2 4576/4885L3MBTL1 3347/4885

“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.