SCHEMBL10003799

SCHEMBL10003799

CCOC(=O)c1c(OCC(F)(F)F)c2cc(NC(=O)c3ccc(OC)cc3)c(CC)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PRTN3 P24158 1/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL10003062 0.92 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10003568 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10002933 0.91 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10003336 0.91 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10003693 0.89 CDC25B (0.41) SMN1; SMN2MAPTNPSR1RXFP1GAA
SCHEMBL10003859 0.86 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10004404 0.86 PTK2 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10002887 0.86 ELANE (0.35) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10003125 0.85 RAB9A (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL12003592 0.84 POLB (0.42) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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 (1 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH NPC1 1300/4885RAB9A 1389/4885SMN1; SMN2 3164/4885

“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.

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