SCHEMBL10004547

SCHEMBL10004547

CCOC(=O)c1c(OCC(F)(F)F)c2c(Cl)nc(CC)nc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ GABRA2 P47869 5/20 0.33
▸ GABRB2 P47870 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32

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
SCHEMBL10004263 0.90 HPGD (0.41) HPGDCYP1A2CYP2C9HSD17B10KDM4E
SCHEMBL10004491 0.88 HPGD (0.35) HPGDCYP1A2CYP2C9HSD17B10KDM4E
SCHEMBL10004297 0.81 TAS2R14 (0.40) TAS2R14HPGDCYP1A2HSD17B10KDM4E
SCHEMBL10004189 0.79 TAS2R14 (0.41) TAS2R14CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL10004287 0.78 KMT2A (0.38) HPGDCYP1A2CYP2C9HSD17B10KDM4E
SCHEMBL10004427 0.78 KDM4E (0.36) HPGDCYP1A2CYP2C9HSD17B10KDM4E
SCHEMBL10004180 0.77 HPGD (0.39) HPGDCYP1A2CYP2C9HSD17B10KDM4E
SCHEMBL10003658 0.77 ALDH1A1 (0.35) HPGDKDM4EALDH1A1POLBGABRA2
SCHEMBL10002968 0.77 KDM4E (0.35) HPGDKDM4EALDH1A1POLBGABRA2
SCHEMBL10004450 0.76 KDM4E (0.43) HPGDCYP1A2CYP2C9HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH TAS2R14 4147/4885HPGD 539/4885CYP1A2 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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