SCHEMBL22563058

SCHEMBL22563058

N#Cc1ccc(Nc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
MAP2K1 Q02750 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LRRK2 Q5S007 3/20 0.41
PGR P06401 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CSNK1D P48730 1/20 0.38
CSNK1G2 P78368 1/20 0.38
GRM5 P41594 1/20 0.37
TBXA2R P21731 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL22563167 0.83 PGR (0.42) TRPV4MAP2K1LRRK2PGRCYP11B1
SCHEMBL22563047 0.83 EGFR (0.46) TRPV4ALDH1A1PGRCYP11B1CYP11B2
SCHEMBL1797379 0.81 TRPV4 (0.59) TRPV4CYP11B1CYP11B2
SCHEMBL22551191 0.81 TAS2R14 (0.46) TRPV4KDM4EGAALRRK2PGR
SCHEMBL6302153 0.76 KDM4E (0.40) TRPV4MAP2K1KDM4EALDH1A1GAA
SCHEMBL22563177 0.76 LRRK2 (0.42) TRPV4LRRK2PGRCYP11B1CYP11B2
SCHEMBL6834456 0.74 TAS2R14 (0.43) TRPV4KDM4EGAACYP11B1CYP11B2
SCHEMBL24244949 0.72 SGK1 (0.47) KDM4EALDH1A1GAALRRK2CSNK1D
SCHEMBL22563041 0.72 TAS2R14 (0.56) TRPV4ALDH1A1PGRTAS2R14
SCHEMBL16909264 0.71 CSNK1D (0.41) MAP2K1LRRK2CSNK1DCSNK1G2BACE2

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-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
WO-2020212530-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-22 WO disclosed
EP-3725777-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2020-10-21 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-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 TRPV4 3443/4885MAP2K1 348/4885KDM4E 1169/4885

“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.