SCHEMBL12018154

SCHEMBL12018154

CCc1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.48
▸ NAMPT P43490 2/20 0.46
▸ RAB9A P51151 1/20 0.42
▸ METAP1 P53582 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ LATS1 O95835 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LATS2 Q9NRM7 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4C Q9H3R0 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
SCHEMBL30601022 1.00 CYP17A1 (0.48) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL23674773 0.88 CYP17A1 (0.48) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL30411576 0.87 CYP17A1 (0.45) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL23970808 0.87 CYP17A1 (0.45) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL6034950 0.86 CYP17A1 (0.44) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL15996758 0.86 CYP17A1 (0.38) CYP17A1NAMPTRAB9AKDM6BKDM4C
SCHEMBL8209502 0.85 CYP17A1 (0.43) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL18522430 0.84 NAMPT (0.50) CYP17A1NAMPTRAB9AMETAP1ATR
SCHEMBL28862920 0.84 DGAT2 (0.43) CYP17A1NAMPTRAB9A
SCHEMBL5746768 0.83 CYP17A1 (0.46) CYP17A1NAMPTRAB9AMETAP1LATS1

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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP17A1 3161/4885NAMPT 1973/4885RAB9A 2364/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CYP17A1 4060/4885NAMPT 2779/4885RAB9A 4183/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP17A1 3161/4885NAMPT 1973/4885RAB9A 2364/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CYP17A1 3161/4885NAMPT 1973/4885RAB9A 2364/4885

“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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