SCHEMBL13677595

SCHEMBL13677595

CS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.58
▸ PRKD3 O94806 7/20 0.58
▸ PRKCG P05129 7/20 0.58
▸ PRKCB P05771 7/20 0.58
▸ PRKCA P17252 7/20 0.58
▸ PRKCH P24723 7/20 0.58
▸ PRKCI P41743 7/20 0.58
▸ PRKCE Q02156 7/20 0.58
▸ PRKCQ Q04759 7/20 0.58
▸ PRKCZ Q05513 7/20 0.58
▸ PRKCD Q05655 7/20 0.58
▸ PRKD1 Q15139 7/20 0.58
▸ CYP2D6 P10635 6/20 0.58
▸ NFKB1 P19838 4/20 0.58
▸ GLA P06280 1/20 0.58
▸ LMNA P02545 4/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ PRKACA P17612 5/20 0.56
▸ PRKACG P22612 5/20 0.56
▸ PRKACB P22694 5/20 0.56

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
SCHEMBL11983469 0.86 TNF (0.46) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL6967362 0.85 CYP3A4 (0.59) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL8828469 0.84 PRKD3 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL8771380 0.83 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29546384 0.82 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL30075444 0.82 CA1 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL115053 0.82 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29696494 0.82 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL1551138 0.82 CA1 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL117745 0.82 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2021-10-26 — — US disclosed
US-20200207772-A1 ISOQUINOLINYLSULFONYL DERIVATIVE AND USE THEREOF CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2020-07-02 — — US disclosed
US-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 — — US disclosed
US-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 — — US disclosed
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR DAITO CHEMIX CORPORATION (JP) 2015-09-17 — — US disclosed
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR DAITO CHEMIX CORPORATION (JP) 2015-09-17 — — US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 — — US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 — — US disclosed
EP-1284734-B1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CUREGENICS LTD (IL) 2008-05-21 — — EP disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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 (5 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-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP3A4 321/4885PRKD3 207/4885PRKCG 395/4885
US-20200207772-A1 ISOQUINOLINYLSULFONYL DERIVATIVE AND USE THEREOF RHOT2, ROCK2, CIT CYP3A4 1658/4885PRKD3 88/4885PRKCG 255/4885
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR AFF1, AFF2, FTO CYP3A4 1245/4885PRKD3 4144/4885PRKCG 3635/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CYP3A4 1880/4885PRKD3 144/4885PRKCG 1552/4885
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity KCNQ2, KCNQ1, KCNH3 CYP3A4 1298/4885PRKD3 382/4885PRKCG 138/4885

“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.

Send feedback