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SCHEMBL2925374

SCHEMBL2925374

CN(C)S(=O)(=O)N1CCN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ RBP4 P02753 3/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TTR P02766 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL2925671 0.87 RAF1 (0.46) RAF1BRAFRBP4AKR1C3AKR1C2
SCHEMBL2931128 0.87 RAF1 (0.46) RAF1BRAFRBP4ALDH1A1AKR1C3
SCHEMBL2933724 0.86 RAF1 (0.45) RAF1BRAFRBP4ALDH1A1AKR1C3
SCHEMBL2926396 0.85 RAF1 (0.44) RAF1BRAFRBP4AKR1C3AKR1C2
SCHEMBL2926164 0.85 RAF1 (0.44) RAF1BRAFRBP4ALDH1A1AKR1C3
SCHEMBL13086210 0.84 TRPV1 (0.43) RAF1BRAFALDH1A1LMNAMAPT
SCHEMBL2924460 0.84 GAA (0.51) RAF1BRAFAKR1C3MAPTGAA
SCHEMBL2925740 0.83 RAF1 (0.43) RAF1BRAFRBP4AKR1C3AKR1C2
SCHEMBL2928320 0.83 RAF1 (0.43) RAF1BRAFRBP4AKR1C3AKR1C2
SCHEMBL2927280 0.83 MAPK1 (0.45) RAF1BRAFRBP4ALDH1A1AKR1C3

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 RAF1 427/4885BRAF 351/4885RBP4 4833/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885RBP4 4833/4885

“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.