SCHEMBL21775765

SCHEMBL21775765

Cc1nc2cc(-c3ccc(C(F)(F)F)c(F)c3)nn2c(N2CCC[C@](C(=O)O)(C(C)C)C2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
TSHR P16473 2/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1I2 O75469 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE2A O00408 1/20 0.33
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 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
SCHEMBL21749157 1.00 ABCB1 (0.39) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21775651 1.00 ABCB1 (0.39) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21775761 0.90 ABCG2 (0.39) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21775638 0.90 ABCG2 (0.39) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21775758 0.90 ABCG2 (0.39) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21774076 0.90 ABCG2 (0.40) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21749160 0.90 ABCG2 (0.40) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21749156 0.90 ABCG2 (0.40) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21775609 0.88 ABCB1 (0.38) ABCB1ABCG2TSHRMAPTALDH1A1
SCHEMBL21749212 0.88 ABCB1 (0.38) ABCB1ABCG2TSHRMAPTALDH1A1

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 136/4885TSHR 698/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885ABCG2 136/4885TSHR 698/4885

“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.