SCHEMBL10003568

SCHEMBL10003568

CCc1nc2c(cc1NC(=O)c1ccc(OC)cc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KCNK2 O95069 2/20 0.41
▸ KCNK10 P57789 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ F10 P00742 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ABCG2 Q9UNQ0 3/20 0.38

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
SCHEMBL10003799 0.92 NPC1 (0.43) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL10004018 0.91 ALDH1A1 (0.41) NPC1RAB9ALMNAALDH1A1KCNK2
SCHEMBL10003404 0.91 HTT (0.40) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL10003167 0.90 F10 (0.40) RAB9ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL10003601 0.88 ATM (0.39) LMNAKMT2AMAPTMEN1
SCHEMBL10003422 0.85 PTK2 (0.41) RAB9ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL10003069 0.85 SMN1; SMN2 (0.41) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL10004202 0.85 ELANE (0.33) NPC1RAB9AMAPTHPGD
SCHEMBL10003581 0.84 SMO (0.51) KMT2AMAPTMEN1
SCHEMBL10003336 0.83 SMN1; SMN2 (0.41) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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 1389/4885LMNA 4452/4885

“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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