SCHEMBL4490381

SCHEMBL4490381

CCCc1cccc(-c2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
PRMT6 Q96LA8 2/20 0.62
HRH3 Q9Y5N1 1/20 0.50
KIF11 P52732 1/20 0.49
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
DHFR P00374 1/20 0.45
NOTUM Q6P988 1/20 0.45
ABHD6 Q9BV23 1/20 0.44
CYP17A1 P05093 5/20 0.44
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP19A1 P11511 2/20 0.44
EPHX2 P34913 1/20 0.42
MGLL Q99685 1/20 0.42
CYP21A2 P08686 1/20 0.41

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
SCHEMBL24005570 0.88 CTSS (0.50) PRKCIPRMT6CTSSCTSK
SCHEMBL30777855 0.86 CTSS (0.51) PRMT6KIF11CTSSCTSK
SCHEMBL196298 0.86 CTSS (0.51) PRMT6KIF11CTSSCTSK
SCHEMBL10066929 0.85 PRKCI (0.67) PRKCIPRMT6HRH3KIF11DHFR
SCHEMBL4533749 0.84 AGXT (0.52) HRH3KIF11CTSSCTSK
SCHEMBL15238584 0.82 MCL1 (0.49) CTSSCTSK
SCHEMBL10078136 0.82 AGXT (0.50) HRH3KIF11CTSSCTSK
SCHEMBL4468765 0.82 EPHX2 (0.64) PRMT6CTSSCTSKDHFRCYP17A1
SCHEMBL1138556 0.81 PRKCI (0.62) PRKCIPRMT6HRH3KIF11DHFR
SCHEMBL1138646 0.81 PRKCI (0.73) PRKCIPRMT6HRH3KIF11NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B PRKCI 1835/4885PRMT6 4517/4885HRH3 1848/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK PRKCI 446/4885PRMT6 1975/4885HRH3 1134/4885

“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.