SCHEMBL3700705

SCHEMBL3700705

CCOC(=O)c1cc(N)n(-c2c(F)cccc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
THRB P10828 1/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 1/20 0.45
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL12099796 0.86 NPSR1 (0.56) TP53THRBGAAKMT2ANPC1
SCHEMBL3693332 0.85 TP53 (0.53) TP53THRBCYP1A2GAAKMT2A
SCHEMBL2005133 0.84 GABRP (0.47) TP53THRBGAAKMT2ANPC1
SCHEMBL4701523 0.81 CHRNA7 (0.62) TP53THRBGAAKMT2ANPC1
SCHEMBL2835335 0.80 KMT2A (0.65) TP53THRBGAAKMT2ACA9
SCHEMBL3701140 0.79 TP53 (0.53) TP53THRBGAAKMT2ANPC1
SCHEMBL3699949 0.78 MAPT (0.53) TP53GAAKMT2ACA9MAPT
SCHEMBL3695514 0.78 TP53 (0.52) TP53THRBGAAKMT2ANPC1
SCHEMBL16517015 0.78 KMT2A (0.50) TP53THRBCYP1A2GAAKMT2A
SCHEMBL14357202 0.77 CA9 (0.61) TP53CYP1A2GAAKMT2ANPC1

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-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 TP53 4668/4885THRB 3537/4885CYP1A2 539/4885

“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.