SCHEMBL7883168

SCHEMBL7883168

CCC(C)C1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
EPHX2 P34913 5/20 0.44
EPHX1 P07099 1/20 0.41
DPP4 P27487 6/20 0.40
DPP7 Q9UHL4 2/20 0.40
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
GAA P10253 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
SCHEMBL11990250 0.85 GAA (0.38) EPHX2DPP4DPP7CPN1CPB2
SCHEMBL22622606 0.85 PIK3CD (0.43) PIK3CDEPHX2EPHX1DPP4DPP7
SCHEMBL11310195 0.83 CPN1 (0.44) PIK3CDEPHX2EPHX1DPP4DPP7
SCHEMBL23570940 0.82 EPHX2 (0.47) EPHX2EPHX1CPN1CPB2
SCHEMBL22363328 0.82 PIK3CD (0.41) PIK3CDEPHX2EPHX1DPP4DPP7
SCHEMBL11990125 0.82 PIK3CD (0.42) PIK3CDEPHX2EPHX1DPP4DPP7
SCHEMBL680019 0.81 PIK3CD (0.45) PIK3CDEPHX2EPHX1DPP4DPP7
SCHEMBL11990223 0.81 GAA (0.58) DPP4DPP7DPP8DPP9GAA
SCHEMBL15474131 0.81 DPP4 (0.41) EPHX2DPP4DPP7CPN1CPB2
SCHEMBL14239023 0.81 EPHX2 (0.42) EPHX2DPP4DPP7CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10959984-B2 Methods for treating cancer with RORγ inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-30 US disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 EP disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 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 (7 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-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 PIK3CD 1265/4885EPHX2 2378/4885EPHX1 1344/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PIK3CD 3168/4885EPHX2 1296/4885EPHX1 484/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 PIK3CD 65/4885EPHX2 1685/4885EPHX1 1899/4885
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC PIK3CD 1474/4885EPHX2 1258/4885EPHX1 1346/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 PIK3CD 71/4885EPHX2 1649/4885EPHX1 1843/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 PIK3CD 42/4885EPHX2 2367/4885EPHX1 2197/4885
US-10959984-B2 Methods for treating cancer with RORγ inhibitors RORB, RORC, RORA PIK3CD 2448/4885EPHX2 1277/4885EPHX1 1367/4885

“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.