SCHEMBL2931311

SCHEMBL2931311

NC(=O)n1nc(NCCCN2CCOCC2)c2cc[c]cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 8/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
HSD17B10 Q99714 3/20 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
SCHEMBL2929617 0.94 ALDH1A1 (0.42) ACP1TSHRMAPK1KDM4EGAA
SCHEMBL2932208 0.78 CNR2 (0.36) ALOX15KDM4EALDH1A1POLBKMT2A
SCHEMBL2931070 0.78 GRM4 (0.45) GAAKMT2ASMN1; SMN2
SCHEMBL2926072 0.72
SCHEMBL2927180 0.70 MEN1 (0.33) KDM4ELMNAKMT2ATYRO3HSD17B10
SCHEMBL2931949 0.68 GSK3B (0.40) KMT2A
SCHEMBL996593 0.68 RAB9A (0.50) TSHRMAPK1ALOX15TP53KDM4E
SCHEMBL4228508 0.67 AURKA (0.39) TP53KDM4EGAAALDH1A1GLA
SCHEMBL3842522 0.67 CYP1A2 (0.46) ACP1TSHRALOX15TP53KDM4E
SCHEMBL4780872 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (2 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 ACP1 576/4885TSHR 4683/4885MAPK1 1145/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ACP1 576/4885TSHR 4683/4885MAPK1 1145/4885

“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.