SCHEMBL10033552

SCHEMBL10033552

CCC(C)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL19881299 1.00 CA1 (0.57) CA1CA2CA7CA14SAE1
SCHEMBL13555318 1.00 CA1 (0.57) CA1CA2CA7CA14SAE1
SCHEMBL26503502 0.86 SAE1 (0.50) CA1CA2SAE1UBA2MAPT
SCHEMBL19062283 0.85 MEN1 (0.59) CA1CA2CA7CA14SAE1
SCHEMBL18896325 0.84 SAE1 (0.49) CA1CA2CA7CA14SAE1
SCHEMBL12251357 0.84 SAE1 (0.49) CA1CA2CA7CA14SAE1
SCHEMBL12309897 0.83 PGR (0.56) CA1CA2SAE1UBA2MAPT
SCHEMBL20941550 0.83 MAPT (0.54) CA1CA2SAE1UBA2MAPT
SCHEMBL18602218 0.83 SAE1 (0.50) CA1CA2SAE1UBA2MAPT
SCHEMBL22626201 0.82 MMP2 (0.69) CA1CA2SAE1UBA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-12-01 US disclosed
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2015-08-27 US disclosed
US-9079912-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-07-14 US disclosed
US-9032876-B2 Lithographic printing plate precursor, lithographic printing plate platemaking method, and polymerizable monomer FUJIFILM CORPORATION (JP) 2015-05-19 US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-08-28 US disclosed
US-8541425-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-24 US disclosed
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8202576-B2 Method of forming metal film FUJIFILM CORPORATION (JP) 2012-06-19 US disclosed
US-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
US-20110174179-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, LITHOGRAPHIC PRINTING PLATE PLATEMAKING METHOD, AND POLYMERIZABLE MONOMER FUJIFILM CORPORATION (JP) 2011-07-21 US disclosed
US-20100080893-A1 METHOD OF FORMING METAL FILM FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-20090266583-A1 PHOTOSENSITIVE RESIN COMPOSITION, LAMINATE, METHOD OF PRODUCING METAL PLATED MATERIAL, METAL PLATED MATERIAL, METHOD OF PRODUCING METAL PATTERN MATERIAL, METAL PATTERN MATERIAL AND WIRING SUBSTRATE FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090155553-A1 Method of manufacturing surface metal film material, surface metal film material, method of manufacturing patterned metal material, patterned metal material, and polymer layer-forming composition FUJIFILM CORPORATION (JP) 2009-06-18 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-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA7 4758/4885
US-20110174179-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, LITHOGRAPHIC PRINTING PLATE PLATEMAKING METHOD, AND POLYMERIZABLE MONOMER SORT1, ELOVL6, SCD5 CA1 3929/4885CA2 4231/4885CA7 2998/4885
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA7 4758/4885
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA7 4758/4885
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA7 4758/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA7 4758/4885

“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.