SCHEMBL2924970

SCHEMBL2924970

CN1CCN(c2cc3[nH]c(NCc4ccccc4C(F)(F)F)nc3cc2C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
EPHX2 P34913 10/20 0.45
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RBP4 P02753 1/20 0.40
NEK2 P51955 1/20 0.40
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
TTR P02766 1/20 0.38
PTGES O14684 1/20 0.38
CD38 P28907 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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) GAARBP4TTRPTGESPOLB
SCHEMBL2931128 0.79 RAF1 (0.46) GAARBP4TTRPTGESKDM4E
SCHEMBL2927280 0.79 MAPK1 (0.45) GAARBP4TTRALDH1A1POLB
SCHEMBL2933724 0.78 RAF1 (0.45) GAARBP4TTRPTGESKDM4E
SCHEMBL2926396 0.78 RAF1 (0.44) GAARBP4TTR
SCHEMBL2926164 0.77 RAF1 (0.44) GAARBP4TTRKDM4EALDH1A1
SCHEMBL2924460 0.76 GAA (0.51) GAAPTGESKDM4E
SCHEMBL2928320 0.76 RAF1 (0.43) GAACYP2D6CYP2C19RBP4TTR
SCHEMBL2925740 0.76 RAF1 (0.43) GAACYP2D6CYP2C19RBP4TTR
SCHEMBL2925374 0.75 RAF1 (0.42) GAARBP4TTRALDH1A1POLB

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 GAA 1732/4885EPHX2 2228/4885CYP2C9 2738/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GAA 1732/4885EPHX2 2228/4885CYP2C9 2738/4885

“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.