SCHEMBL2925708

SCHEMBL2925708

CC(C)CN(CC(C)C)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
TAS2R14 Q9NYV8 3/20 0.37
GRIK1 P39086 1/20 0.37
PTGES O14684 4/20 0.36
DDX3X O00571 1/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2929849 0.86 RAF1 (0.51) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2928418 0.84 RAF1 (0.48) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2933012 0.83 RAF1 (0.47) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2924058 0.83 RAF1 (0.51) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL13086188 0.83 HPGD (0.44) RAF1BRAFPTGESALDH1A1HPGD
SCHEMBL2932165 0.82 RAF1 (0.50) RAF1BRAFAKR1C3AKR1C2PTGES
SCHEMBL2932056 0.81 RAF1 (0.49) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL2932514 0.80 RAF1 (0.48) RAF1BRAFAKR1C3AKR1C2PTGES
SCHEMBL2931390 0.78 RAF1 (0.49) RAF1BRAFAKR1C3AKR1C2TAS2R14
SCHEMBL14693654 0.77 DDX3X (0.39) RAF1BRAFAKR1C3NR1I2DDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
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
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP 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-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 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
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US disclosed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP disclosed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 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 (5 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 RAF1 46/4885BRAF 41/4885AKR1C3 1973/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RAF1 45/4885BRAF 43/4885AKR1C3 2849/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885AKR1C3 944/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885AKR1C3 944/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RAF1 45/4885BRAF 43/4885AKR1C3 2849/4885

“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.