SCHEMBL2932727

SCHEMBL2932727

CN1CCN(c2cc(N)c(N)cc2C(=O)Nc2ccc3scnc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
GOT1 P17174 1/20 0.47
HIF1A Q16665 1/20 0.45
RAD52 P43351 1/20 0.43
AURKA O14965 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TRPV1 Q8NER1 2/20 0.41
CHRM5 P08912 4/20 0.41
RPS6KA2 Q15349 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2931928 0.92 KEAP1 (0.47) RAD52ALDH1A1KMT2AL3MBTL1
SCHEMBL2926139 0.89 ALDH1A1 (0.47) HSD11B1GOT1HIF1AALDH1A1POLB
SCHEMBL2927822 0.82 ALDH1A1 (0.47) ALDH1A1POLBKMT2A
SCHEMBL2929621 0.79 KEAP1 (0.53) ALDH1A1KMT2A
SCHEMBL2925829 0.74 TRPV1 (0.53) HIF1AALDH1A1TRPV1KMT2A
SCHEMBL2928290 0.74 TRPV1 (0.53) TRPV1POLB
SCHEMBL2931578 0.74 PTGES (0.41) GOT1TRPV1
SCHEMBL2928682 0.71 ALDH1A1 (0.45) ALDH1A1KMT2AL3MBTL1
SCHEMBL14452332 0.70 IKBKB (0.41) GOT1ALDH1A1RPS6KA2KMT2AL3MBTL1
SCHEMBL2931613 0.70 KEAP1 (0.50) ALDH1A1KMT2A

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 HSD11B1 2096/4885GOT1 2806/4885HIF1A 3851/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HSD11B1 2096/4885GOT1 2806/4885HIF1A 3851/4885

“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.