SCHEMBL21775758

SCHEMBL21775758

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 6/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
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 0.34
TP53 P04637 2/20 0.33
BTK Q06187 2/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL21775638 1.00 ABCG2 (0.39) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775761 1.00 ABCG2 (0.39) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21749157 0.90 ABCB1 (0.39) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775765 0.90 ABCB1 (0.39) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775651 0.90 ABCB1 (0.39) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775744 0.90 ABCG2 (0.40) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21749150 0.90 ABCG2 (0.40) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775864 0.90 ABCG2 (0.40) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21749212 0.89 ABCB1 (0.38) ABCG2ABCB1TSHRALDH1A1MAPT
SCHEMBL21775721 0.89 ABCB1 (0.38) ABCG2ABCB1TSHRALDH1A1MAPT

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