SCHEMBL194992

SCHEMBL194992

CC(C)(C)c1cc(C#N)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL23847694 0.80 MCL1 (0.37) HTR1ADRD2DRD4DRD3TRPV4
SCHEMBL27259996 0.78 KIF11 (0.36) KIF11ALDH1A1KDM4EGAAHPGD
SCHEMBL1779488 0.72
SCHEMBL5173532 0.70
SCHEMBL275888 0.67
SCHEMBL2704151 0.67 GABRA1 (0.40) ALDH1A1HPGDHSD17B10
SCHEMBL12792828 0.67 HMBS (0.50) ALDH1A1KDM4E
SCHEMBL21719602 0.65 DAO (0.32) HPGD
SCHEMBL20844172 0.65 DAO (0.37) HPGD
SCHEMBL20844174 0.65 PKM (0.39)

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210290784-A1 POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS FOR IMAGING MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR (CSF1R) IN NEUROINFLAMMATION THE JOHNS HOPKINS UNIVERSITY 2021-09-23 US disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-10-09 US disclosed
US-8822694-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20140243382-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-28 US disclosed
EP-2765130-A2 Process for producing pyrrole compound Takeda Pharmaceutical Company Limited (JP) 2014-08-13 EP disclosed
US-20140200245-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-07-17 US disclosed
EP-2402313-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-01-04 EP disclosed
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-15 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 (13 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-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES KIF11 1680/4885ALDH1A1 4702/4885KDM4E 1770/4885
US-20140200245-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES KIF11 1680/4885ALDH1A1 4702/4885KDM4E 1770/4885
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD KIF11 4023/4885ALDH1A1 1045/4885KDM4E 807/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES KIF11 1680/4885ALDH1A1 4702/4885KDM4E 1770/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES KIF11 1680/4885ALDH1A1 4702/4885KDM4E 1770/4885
US-20210290784-A1 POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS FOR IMAGING MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR (CSF1R) IN NEUROINFLAMMATION CSF1R, CSF3R, CMKLR1 KIF11 3825/4885ALDH1A1 2911/4885KDM4E 4517/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD KIF11 2873/4885ALDH1A1 1184/4885KDM4E 222/4885

“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.