SCHEMBL764255

SCHEMBL764255

CCc1ccc2nnsc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PRMT3 O60678 7/20 0.42
TRPA1 O75762 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
BAZ1A Q9NRL2 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL763088 0.85 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TRPA1ALDH1A1
SCHEMBL24215171 0.82 PRMT3 (0.43) NPC1RAB9APRMT3NSD2ALDH1A1
SCHEMBL29567889 0.81 PRMT3 (0.45) NPC1RAB9APRMT3NSD2ALDH1A1
SCHEMBL507524 0.81 PRMT3 (0.45) NPC1RAB9APRMT3NSD2ALDH1A1
SCHEMBL508108 0.81 PRMT3 (0.42) NPC1RAB9ASMN1; SMN2PRMT3NSD2
SCHEMBL8771334 0.80 PRMT3 (0.40) NPC1RAB9APRMT3NSD2ALDH1A1
SCHEMBL7576448 0.78 MAPT (0.46) NPC1RAB9ASMN1; SMN2NSD2ALDH1A1
SCHEMBL16782399 0.71 ALDH1A1 (0.44) NPC1RAB9APRMT3NSD2ALDH1A1
SCHEMBL11973936 0.70 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17538782 0.69 PRMT3 (0.48) NPC1RAB9ASMN1; SMN2PRMT3NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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 (4 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 NPC1 4024/4885RAB9A 2919/4885SMN1; SMN2 4090/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 NPC1 4024/4885RAB9A 2919/4885SMN1; SMN2 4090/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NPC1 3576/4885RAB9A 2785/4885SMN1; SMN2 4341/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NPC1 3576/4885RAB9A 2785/4885SMN1; SMN2 4341/4885

“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.