SCHEMBL21775650

SCHEMBL21775650

Cc1nc2cc(-c3ccc(C(F)(F)F)nc3)nn2c(N2CCCC(C)(C(=O)O)C2)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.40
ABCB1 P08183 7/20 0.40
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
BTK Q06187 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 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
SCHEMBL21775569 1.00 ABCG2 (0.40) ABCG2ABCB1DGAT1KCNH2TSHR
SCHEMBL21775656 1.00 ABCG2 (0.40) ABCG2ABCB1DGAT1KCNH2TSHR
SCHEMBL21775864 0.90 ABCG2 (0.40) ABCG2ABCB1DGAT1KCNH2TSHR
SCHEMBL21749150 0.90 ABCG2 (0.40) ABCG2ABCB1DGAT1KCNH2TSHR
SCHEMBL21775744 0.90 ABCG2 (0.40) ABCG2ABCB1DGAT1KCNH2TSHR
SCHEMBL21775775 0.90 ABCG2 (0.39) ABCG2ABCB1TSHRALDH1A1LMNA
SCHEMBL21775763 0.90 ABCG2 (0.39) ABCG2ABCB1TSHRALDH1A1LMNA
SCHEMBL21775767 0.88 ABCB1 (0.38) ABCG2ABCB1DGAT1TSHRALDH1A1
SCHEMBL21775863 0.88 ABCB1 (0.38) ABCG2ABCB1DGAT1TSHRALDH1A1
SCHEMBL21775646 0.87 ABCB1 (0.42) ABCG2ABCB1DGAT1KCNH2TSHR

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 243/4885DGAT1 3258/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCG2 136/4885ABCB1 243/4885DGAT1 3258/4885

“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.