SCHEMBL3603765

SCHEMBL3603765

CSc1ccc(NCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 10/20 0.56
IMPDH2 P12268 5/20 0.52
NOTUM Q6P988 4/20 0.52
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 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
SCHEMBL3596722 0.89 GRK2 (0.54) PRMT3IMPDH2NOTUMMEN1KMT2A
SCHEMBL3588716 0.86 IMPDH2 (0.70) PRMT3IMPDH2NOTUMMAPTKMT2A
SCHEMBL3598434 0.85 IMPDH2 (0.69) PRMT3IMPDH2NOTUM
SCHEMBL19860083 0.85 PRMT3 (0.53) PRMT3IMPDH2NOTUMMEN1KMT2A
SCHEMBL3593343 0.84 ACHE (0.61) PRMT3IMPDH2NOTUM
SCHEMBL14625937 0.84 ROCK2 (0.60) PRMT3IMPDH2NOTUM
SCHEMBL13913491 0.82 NOTUM (0.56) PRMT3IMPDH2NOTUMMAPTKMT2A
SCHEMBL3599005 0.81 NOTUM (0.57) PRMT3IMPDH2NOTUM
SCHEMBL3594442 0.81 PRMT3 (0.56) PRMT3IMPDH2NOTUM
SCHEMBL3600167 0.80 IMPDH2 (0.74) PRMT3IMPDH2NOTUMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910297-B1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2016-05-25 EP disclosed
EP-1910297-B1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2016-05-25 EP disclosed
US-20100093790-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20090069371-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-7470787-B2 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1910297-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2008-04-16 EP disclosed
US-20070142429-A1 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
WO-2007008926-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO 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 (3 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-20090069371-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 PRMT3 2666/4885IMPDH2 2567/4885NOTUM 4507/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 PRMT3 2666/4885IMPDH2 2567/4885NOTUM 4507/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 PRMT3 2666/4885IMPDH2 2567/4885NOTUM 4507/4885

“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.