SCHEMBL3585236

SCHEMBL3585236

O=C(CNc1ccc(C(=O)Nc2ccncc2)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.52
PRMT3 O60678 7/20 0.52
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NOTUM Q6P988 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL13913490 0.90 SMN1; SMN2 (0.58) IMPDH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13913479 0.89 GRK2 (0.54) IMPDH2PRMT3KDM4ENPC1RAB9A
SCHEMBL12228150 0.85 NOTUM (0.61) NOTUMSMN1; SMN2KMT2AGAALMNA
SCHEMBL3586989 0.84 IMPDH2 (0.60) IMPDH2PRMT3NPC1RAB9ANOTUM
SCHEMBL3598434 0.84 IMPDH2 (0.69) IMPDH2PRMT3NOTUM
SCHEMBL3597487 0.84 RAB9A (0.52) IMPDH2PRMT3RAB9ANOTUM
SCHEMBL3602258 0.84 IMPDH2 (0.58) IMPDH2PRMT3RAB9ANOTUM
SCHEMBL3588716 0.83 IMPDH2 (0.70) IMPDH2PRMT3NOTUMALDH1A1KMT2A
SCHEMBL14625937 0.83 ROCK2 (0.60) IMPDH2PRMT3NOTUM
SCHEMBL3581150 0.81 GRK2 (0.61) IMPDH2NPC1RAB9ANOTUMSMN1; SMN2

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
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
US-20070142429-A1 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-21 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 (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 IMPDH2 2567/4885PRMT3 2666/4885KDM4E 3842/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 IMPDH2 2567/4885PRMT3 2666/4885KDM4E 3842/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 IMPDH2 2567/4885PRMT3 2666/4885KDM4E 3842/4885

“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.