SCHEMBL18036027

SCHEMBL18036027

COc1ccc(-c2nc(C(=O)O)c(F)c(=O)[nH]2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ SPR P35270 1/20 0.40
▸ TNKS O95271 3/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RNASEH1 O60930 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GUSB P08236 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL18036013 0.84 CBFB (0.46) CBFBHIF1ASPRTNKSPARP1
SCHEMBL18036271 0.75 CBFB (0.48) CBFBHIF1ATNKSKDM4EALDH1A1
SCHEMBL29408303 0.71 PIN1 (0.47) CBFBPIN1KDM4EALDH1A1RAB9A
SCHEMBL28708977 0.71 PIN1 (0.47) CBFBPIN1KDM4EALDH1A1RAB9A
SCHEMBL19207156 0.69 HCRTR1 (0.45) CBFBTNKSPIN1KDM4EPOLB
SCHEMBL11908336 0.69 ATR (0.42) KDM4EALDH1A1PTGER4
SCHEMBL31336740 0.67 POLB (0.50) CBFBTNKSPIN1KDM4EALDH1A1
SCHEMBL25435029 0.65 ALDH1A1 (0.51) CBFBTNKSALDH1A1DYRK3DYRK1A
SCHEMBL31546321 0.65 ALDH1A1 (0.51) CBFBTNKSALDH1A1DYRK3DYRK1A
SCHEMBL31336591 0.65 KDM4C (0.46) KDM4EALDH1A1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264536-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-15 — — US disclosed
EP-3061754-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-08-31 — — 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-20160264536-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CBFB 3655/4885HIF1A 4224/4885SPR 1294/4885

“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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