SCHEMBL1708022

SCHEMBL1708022

COC(=O)c1cccc(-n2c(C)nc3ccc(C(F)(F)F)cc32)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.46
CFTR P13569 1/20 0.43
TP53 P04637 1/20 0.41
MYC P01106 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.38
SORT1 Q99523 1/20 0.38
BMI1 P35226 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL1708107 0.92 TSHR (0.46) ALDH1A1POLBRAB9ATSHRCFTR
SCHEMBL3797322 0.88 ALDH1A1 (0.46) ALDH1A1POLBTP53MYCMRGPRX4
SCHEMBL1708045 0.86 ALDH1A1 (0.51) ALDH1A1POLBRAB9ATSHRTP53
SCHEMBL1708108 0.85 POLB (0.53) ALDH1A1POLBRAB9ATSHRTP53
SCHEMBL1708100 0.84 RAB9A (0.51) ALDH1A1POLBRAB9ATSHRTP53
SCHEMBL3792099 0.79 HSD17B10 (0.44) ALDH1A1POLBTP53DHODHSORT1
SCHEMBL1708275 0.78 BMI1 (0.37) ALDH1A1TSHRDHODHBMI1PDE2A
SCHEMBL1707974 0.77 MAPK1 (0.47) ALDH1A1POLBRAB9ATSHRTP53
SCHEMBL1708054 0.74 ALDH1A1 (0.48) ALDH1A1POLBRAB9ATSHRMYC
SCHEMBL1707983 0.73 CFTR (0.41) ALDH1A1POLBRAB9ACFTRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ALDH1A1 3930/4885POLB 4829/4885RAB9A 2224/4885

“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.