SCHEMBL5447702

SCHEMBL5447702

N=C(NCc1ccc(F)cc1)NOC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3488731 0.77 PLOD2 (0.44) HPGDLMNATP53HTTPLA2G1B
SCHEMBL10179938 0.76 PLA2G1B (0.50) HPGDLMNATP53PLA2G1BATG4B
Trifluoroacetic Acid SCHEMBL5447693 0.76 HTT (0.50) HPGDLMNATP53HTTPLA2G1B
Hydrochloric Acid SCHEMBL3112636 0.75 PLA2G1B (0.49) HPGDLMNATP53PLA2G1BATG4B
SCHEMBL9105108 0.75 BRAF (0.44) CA1CA2CA9
SCHEMBL10590731 0.74 PLA2G1B (0.55) HPGDLMNATP53HTTPLA2G1B
SCHEMBL17777347 0.71 PLA2G1B (0.52) HPGDLMNATP53HTTPLA2G1B
SCHEMBL29249550 0.71 HPGD (0.45) HPGDLMNARAB9AALDH1A1NPC1
SCHEMBL10384368 0.71 MEN1 (0.48) HPGDLMNATP53HTTPLA2G1B
SCHEMBL1274285 0.71 LMNA (0.68) HPGDLMNATP53HTTPLA2G1B

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
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US 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 (2 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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 HPGD 250/4885LMNA 3910/4885TP53 2160/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 HPGD 250/4885LMNA 3910/4885TP53 2160/4885

“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.