SCHEMBL21775596

SCHEMBL21775596

CC[C@]1(C(=O)O)CCCN(c2c(C(C)C)c(C)nc3cc(-c4ccc(C(F)(F)F)cc4Cl)nn23)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
TP53 P04637 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DPP4 P27487 2/20 0.32
PPARD Q03181 2/20 0.32
CRHR1 P34998 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
SLC6A9 P48067 1/20 0.31
PDF Q9HBH1 1/20 0.31
ALOX5AP P20292 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21775751 1.00 ABCB1 (0.34) ABCB1TP53MGLLMEN1KMT2A
SCHEMBL21775534 1.00 ABCB1 (0.34) ABCB1TP53MGLLMEN1KMT2A
SCHEMBL21749154 0.92 ABCB1 (0.34) ABCB1TP53MCHR1CHRM2CHRM1
SCHEMBL21749179 0.92 ABCB1 (0.34) ABCB1TP53MCHR1CHRM2CHRM1
SCHEMBL21775870 0.92 ABCB1 (0.34) ABCB1TP53MCHR1CHRM2CHRM1
SCHEMBL21775852 0.90 ABCB1 (0.39) ABCB1TP53MEN1KMT2AMCHR1
SCHEMBL21775634 0.90 DPP4 (0.40) ABCB1KMT2ADPP4CRHR1DPP8
SCHEMBL21774098 0.90 DPP4 (0.40) ABCB1KMT2ADPP4CRHR1DPP8
SCHEMBL21775739 0.90 ABCB1 (0.39) ABCB1TP53MEN1KMT2AMCHR1
SCHEMBL21775545 0.90 DPP4 (0.40) ABCB1KMT2ADPP4CRHR1DPP8

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-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-03-30 US disclosed
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-02-27 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-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885TP53 3700/4885MGLL 4006/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885TP53 3700/4885MGLL 4006/4885

“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.