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SCHEMBL10299347

SCHEMBL10299347

CCc1cc2c(c(OC(C)C)c(C(=O)NC(CC)COC)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SMO Q99835 1/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ BRPF1 P55201 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AXL P30530 2/20 0.32
▸ TYRO3 Q06418 2/20 0.32
▸ MERTK Q12866 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL10299332 0.91 DGAT2 (0.41) NAMPTPTGDR2BRPF1DGAT2AXL
SCHEMBL10299324 0.86 SMO (0.35) SMOPTGDR2DGAT2AXLTYRO3
SCHEMBL10299326 0.85 AHR (0.40) ALDH1A1AXLMERTKPOLBMET
SCHEMBL10003727 0.83 HKDC1 (0.37) SMOPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL10299362 0.82 SRC (0.41) SMOPTGDR2BRPF1ALDH1A1POLB
SCHEMBL10299357 0.82 HKDC1 (0.36) PTGDR2BRPF1ALDH1A1CYP1A2CYP2C9
SCHEMBL10299336 0.82 LMNA (0.35) SMOPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL12020094 0.81 SMO (0.36) NAMPTSMOPTGDR2ALDH1A1CYP1A2
SCHEMBL12019584 0.81 CNR2 (0.39) SMOPTGDR2DGAT2AXLTYRO3
SCHEMBL10299272 0.81 MET (0.41) BRPF1AXLMERTKDHODHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
WO-2011024872-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO 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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH NAMPT 970/4885TAS1R3 4315/4885TAS1R1 4399/4885

“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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