SCHEMBL2977147

SCHEMBL2977147

CC(C)NC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
PARP1 P09874 6/20 0.52
ERN1 O75460 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FURIN P09958 1/20 0.47
ROCK2 O75116 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
HPGD P15428 1/20 0.47
ANPEP P15144 1/20 0.46
MAOB P27338 1/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8593124 0.91 NPSR1 (0.69) NPSR1ERN1GAAKMT2AHSD17B10
SCHEMBL3454168 0.84 PLAU (0.57) NPSR1CYP3A4
SCHEMBL13753397 0.84 NPSR1 (0.61) NPSR1ERN1GAAKMT2AHSD17B10
SCHEMBL14355565 0.84 NPSR1 (0.61) NPSR1ERN1GAAKMT2AHSD17B10
SCHEMBL3652877 0.83 ATM (0.51) NPSR1PARP1GAAKMT2AHSD17B10
SCHEMBL14972572 0.83 ATM (0.51) NPSR1PARP1GAAKMT2AHSD17B10
SCHEMBL3351175 0.82 ALDH1A1 (0.69) GAAKMT2AROCK2ALDH1A1
SCHEMBL3646228 0.82 ALDH1A1 (0.69) GAAKMT2AROCK2ALDH1A1
SCHEMBL3345042 0.82 ALDH1A1 (0.69) GAAKMT2AROCK2ALDH1A1
SCHEMBL3650360 0.82 NPSR1 (0.59) NPSR1ERN1GAAKMT2AHSD17B10

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
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
WO-2009021169-A2 (7H-PYRR0L0 [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
US-20240240024-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN LAYER USING THE SAME, AND COLOR FILTER SAMSUNG SDI CO., LTD. (KR) 2024-07-18 US disclosed
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US disclosed
EP-2188289-B1 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS INC (US) 2015-10-28 EP disclosed
EP-2597098-A1 (7H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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 (6 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885PARP1 4681/4885ERN1 2209/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885PARP1 4681/4885ERN1 2209/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885PARP1 4681/4885ERN1 2209/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS NPSR1 4291/4885PARP1 2728/4885ERN1 1936/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885PARP1 4681/4885ERN1 2209/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885PARP1 4681/4885ERN1 2209/4885

“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.