SCHEMBL566472

SCHEMBL566472

O=S(=O)(Cl)c1ccc2cnccc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.53
▸ ERN1 O75460 1/20 0.41
▸ CYP3A4 P08684 6/20 0.38
▸ PRKCG P05129 6/20 0.38
▸ PRKCZ Q05513 6/20 0.38
▸ PRKCD Q05655 6/20 0.38
▸ PRKD3 O94806 5/20 0.38
▸ PRKCB P05771 5/20 0.38
▸ PRKCA P17252 5/20 0.38
▸ PRKCH P24723 5/20 0.38
▸ PRKCI P41743 5/20 0.38
▸ PRKCE Q02156 5/20 0.38
▸ PRKCQ Q04759 5/20 0.38
▸ PRKD1 Q15139 5/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ PRKACA P17612 5/20 0.38
▸ PRKACG P22612 4/20 0.38
▸ PRKACB P22694 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 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
SCHEMBL568126 0.78 HASPIN (0.49) IMPDH2ERN1CYP3A4PRKCGPRKCZ
SCHEMBL115053 0.76 CYP3A4 (0.56) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL29546384 0.76 CYP3A4 (0.56) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL5009195 0.75 PRKACA (0.37) IMPDH2ERN1CYP3A4PRKCGPRKCZ
SCHEMBL7115130 0.75 POLB (0.47) ERN1HIF1ACYP1A2SMN1; SMN2TSHR
SCHEMBL17709907 0.75 AXL (0.51) IMPDH2CYP3A4MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL29469852 0.75 LMNA (0.57) CYP3A4PRKCGPRKCZPRKCDPRKD3
Hydrochloric Acid SCHEMBL987360 0.75 LMNA (0.57) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL3010471 0.71 CA12 (0.40) CYP3A4MEN1KMT2ATP53LMNA
SCHEMBL21903918 0.70 PRKD3 (0.38) IMPDH2ERN1CYP3A4PRKCGPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 — — EP disclosed
CN-102448941-B The isoquinilone derivatives replaced D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2016-04-06 — — CN disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 — — EP disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 — — EP disclosed
CN-103270024-B Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2015-07-08 — — CN disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 — — US disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 — — US disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 — — US disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 — — EP disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 — — US disclosed
CN-103270024-A Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2013-08-28 — — CN disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 — — EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 — — 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 (2 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-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT2A1, SULT1A1, SFPQ IMPDH2 324/4885ERN1 2952/4885CYP3A4 447/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 IMPDH2 702/4885ERN1 2319/4885CYP3A4 662/4885

“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