SCHEMBL13086188

SCHEMBL13086188

CC(C)CN(CC(C)C)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1C(=O)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CFTR P13569 1/20 0.39
PTGES O14684 9/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CLK2 P49760 1/20 0.37
PRKX P51817 1/20 0.37
CAMK2D Q13557 1/20 0.37
PKN2 Q16513 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
DDR2 Q16832 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
SCHEMBL13085997 0.86 NPC1 (0.48) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2930992 0.85 NPC1 (0.42) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2928969 0.84 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2925708 0.83 RAF1 (0.47) HPGDRAB9ARAF1BRAFPTGES
SCHEMBL13086227 0.82 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL13085993 0.81 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL13086048 0.80 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL13086212 0.79 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL13085979 0.78 TRPV1 (0.44) HPGDNPC1RAB9ASMN1; SMN2RAF1
SCHEMBL2924892 0.78 PTGES (0.45) HPGDNPC1RAB9ASMN1; SMN2RAF1

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 8 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-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-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-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
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 HPGD 3750/4885NPC1 653/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HPGD 3750/4885NPC1 653/4885RAB9A 3858/4885

“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.