SCHEMBL10003167

SCHEMBL10003167

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MRGPRX1 Q96LB2 1/20 0.37
▸ KCNK2 O95069 2/20 0.37
▸ KCNK10 P57789 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ RORC P51449 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
SCHEMBL10004018 0.92 ALDH1A1 (0.41) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL10003404 0.92 HTT (0.40) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL10002933 0.91 ALDH1A1 (0.40) F10RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL10003568 0.90 NPC1 (0.44) F10RAB9AMAPTKCNK2KCNK10
SCHEMBL10003518 0.88 RORC (0.38) MAPTMEN1KMT2ALMNARORC
SCHEMBL10003422 0.86 PTK2 (0.41) RAB9AMAPTMRGPRX1HPGDALDH1A1
SCHEMBL10004202 0.86 ELANE (0.33) RAB9AMAPTHPGD
SCHEMBL10003069 0.86 SMN1; SMN2 (0.41) RAB9ACYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL10003839 0.86 MAPT (0.41) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL10003336 0.84 SMN1; SMN2 (0.41) RAB9ACYP1A2MAPTL3MBTL1HPGD

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 F10 3388/4885RAB9A 1389/4885CYP1A2 1170/4885

“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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