SCHEMBL19087002

SCHEMBL19087002

Cc1nc(C(=O)O)c(C(F)(F)F)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.39
NOTUM Q6P988 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
MGLL Q99685 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE2A O00408 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL17790243 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL19087003 0.77 PDE2A (0.35) PIN1NOTUMHCAR2PDE2AKDM4E
SCHEMBL8919174 0.73 PIN1 (0.53) PIN1HCAR2HSP90AA1ESR2TDP1
SCHEMBL14511647 0.72 ALDH1A1 (0.44) PIN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27571567 0.71 PIN1 (0.39) PIN1HCAR2HSP90AA1ESR2TDP1
SCHEMBL213561 0.71 PIN1 (0.48) PIN1HCAR2HSP90AA1ESR2TDP1
SCHEMBL14511649 0.70 MAPT (0.37) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL5433660 0.69 PIN1 (0.38) PIN1HCAR2HSP90AA1ESR2TDP1
SCHEMBL570053 0.69 HCAR2 (0.50) HCAR2
SCHEMBL21816328 0.69 NOTUM (0.37) PIN1NOTUMHSP90AA1ESR2TDP1

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
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 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 (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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB PIN1 2325/4885NOTUM 3572/4885HCAR2 4030/4885

“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.