SCHEMBL21775870

SCHEMBL21775870

CCC1(C(=O)O)CCCN(c2c(C(C)C)c(C)nc3cc(-c4ccc(C(F)(F)F)cc4F)nn23)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ALOX5AP P20292 1/20 0.33
MCHR1 Q99705 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC6A9 P48067 1/20 0.32
TSHR P16473 3/20 0.32
NR1I2 O75469 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
PDE2A O00408 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 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
SCHEMBL21749154 1.00 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1CYP11B1
SCHEMBL21749179 1.00 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1CYP11B1
SCHEMBL21774104 0.94 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1CYP11B1
SCHEMBL21749193 0.93 ABCB1 (0.36) ABCB1ABCG2ALOX5APMCHR1CYP11B1
SCHEMBL21775534 0.92 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1SLC6A9
SCHEMBL21775751 0.92 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1SLC6A9
SCHEMBL21775596 0.92 ABCB1 (0.34) ABCB1ABCG2ALOX5APMCHR1SLC6A9
SCHEMBL21749195 0.91 ABCB1 (0.39) ABCB1ABCG2MCHR1CYP11B2TSHR
SCHEMBL21775739 0.91 ABCB1 (0.39) ABCB1ABCG2MCHR1CYP11B2TSHR
SCHEMBL21775852 0.91 ABCB1 (0.39) ABCB1ABCG2MCHR1CYP11B2TSHR

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 243/4885ABCG2 136/4885ALOX5AP 1250/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885ABCG2 136/4885ALOX5AP 1250/4885

“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.