SCHEMBL13315775

SCHEMBL13315775

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)Nc2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.38
S1PR1 P21453 1/20 0.38
EPHX1 P07099 1/20 0.38
PDE7A Q13946 4/20 0.36
WDR5 P61964 1/20 0.36
MLLT1 Q03111 1/20 0.36
PRKCI P41743 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13086257 0.90 ROCK2 (0.41) S1PR1NPC1RAB9A
SCHEMBL2933174 0.86 KEAP1 (0.39) PDE7A
SCHEMBL2927581 0.86 GOT1 (0.38) PDE7A
SCHEMBL2930046 0.86 PDE7A (0.43) S1PR1PDE7A
SCHEMBL2933728 0.85 LMNA (0.39) EGFRPDE7ANPC1MAPTRAB9A
SCHEMBL2923944 0.84 KCNH2 (0.35) PDE7A
SCHEMBL2931206 0.83 KCNH2 (0.35) EGFRPDE7A
SCHEMBL2927890 0.82 KCNH2 (0.35)
SCHEMBL2927584 0.81 ALDH1A1 (0.44) NPC1MAPTRAB9A
SCHEMBL13086054 0.80 LMNA (0.39) NPC1MAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB EGFR 536/4885S1PR1 1535/4885EPHX1 2533/4885

“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.