SCHEMBL12698141

SCHEMBL12698141

CCc1cccc(CC)c1NC(=O)c1n[nH]c2c1CCCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.42
▸ POLB P06746 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 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
SCHEMBL12698145 0.77 TTK (0.55) POLBAURKATTK
SCHEMBL15385479 0.71 HCAR2 (0.42) PARP1NPC1RAB9AKDM4EHSD17B10
SCHEMBL15378110 0.71 PARP1 (0.50) PARP1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL12499437 0.70 KDM4E (0.48) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL12498760 0.69 HCAR2 (0.61) —
SCHEMBL15378003 0.69 TTK (0.43) POLBAURKATTK
SCHEMBL12498279 0.68 KMT2A (0.42) PARP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3503658 0.67 BRD4 (0.50) POLBKDM4EALDH1A1HSD17B10GAA
SCHEMBL9534154 0.67 CTDSP1 (0.43) POLBCFTRKDM4EALDH1A1GAA
SCHEMBL15385481 0.65 HCAR2 (0.35) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 — — EP disclosed
EP-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 — — EP disclosed
US-8916577-B2 Tricyclic derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-23 — — US disclosed
US-8916577-B2 Tricyclic derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-23 — — US disclosed
US-8916577-B2 Tricyclic derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-23 — — US disclosed
US-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-14 — — US disclosed
US-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-14 — — US disclosed
US-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-14 — — US disclosed
WO-2012101029-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 — — 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 (1 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-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS CDK1, MAP3K1, MAP3K20 PARP1 598/4885POLB 2132/4885CFTR 3061/4885

“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.

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