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SCHEMBL4471585

SCHEMBL4471585

CC(C)CNc1nc(N)c(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)no2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CDK5 Q00535 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MME P08473 1/20 0.40
▸ CCNA2 P20248 6/20 0.39
▸ CDK2 P24941 6/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ XIAP P98170 1/20 0.37

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
SCHEMBL3819743 0.90 SMN1; SMN2 (0.46) NPC1RAB9ALMNAPOLBCDK5
SCHEMBL4473020 0.89 CCNA2 (0.50) NPC1RAB9ALMNAPOLBCDK5
SCHEMBL4484744 0.81 NPC1 (0.43) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL4481103 0.79 MELK (0.44) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL4475200 0.79 CCNA2 (0.52) NPC1RAB9ALMNAPOLBCDK5
SCHEMBL13711814 0.75 MELK (0.40) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL4473096 0.74 CCNA2 (0.63) NPC1RAB9ALMNACDK5KMT2A
SCHEMBL4466525 0.72 MELK (0.43) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL4469876 0.72 MELK (0.45) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL4497311 0.72 MELK (0.56) NPC1RAB9ALMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US claimed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 — — 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A NPC1 2068/4885RAB9A 1343/4885LMNA 2349/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A NPC1 2068/4885RAB9A 1343/4885LMNA 2349/4885

“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.