Sugi Predict

Sugi Predict / Compounds / SCHEMBL2926183

SCHEMBL2926183

SCHEMBL2926183

Cc1cc2cn[nH]c2cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 4/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ RORC P51449 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL2931205 0.88 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2932659 0.82 NPC1 (0.60) MAOBNPC1RAB9AJAK2JAK1
SCHEMBL2930559 0.82 NPC1 (0.60) MAOBNPC1RAB9AJAK2JAK1
SCHEMBL5133380 0.77 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2927134 0.73 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL30163112 0.72 NOS1 (0.53) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL31717179 0.72 NOS1 (0.53) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL17373905 0.72 NOS1 (0.53) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2571492 0.72 NOS1 (0.53) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL9944803 0.71 CYP2C19 (0.52) MEN1KMT2AALDH1A1MAPTNPC1

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-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
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 — — EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 — — US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 — — WO 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 L3MBTL1 3945/4885MEN1 895/4885KMT2A 948/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB L3MBTL1 3945/4885MEN1 895/4885KMT2A 948/4885

“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.