SCHEMBL21774076

SCHEMBL21774076

Cc1nc2cc(-c3ccc(C(F)(F)F)cc3)nn2c(N2CCCC(C(=O)O)(C(C)C)C2)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 5/20 0.39
TSHR P16473 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TP53 P04637 2/20 0.33
CAMK1D Q8IU85 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL21749160 1.00 ABCG2 (0.40) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21749156 1.00 ABCG2 (0.40) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21775775 0.90 ABCG2 (0.39) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21775759 0.90 ABCB1 (0.35) ABCG2ABCB1TSHRCYP11B2HCRTR1
SCHEMBL21749168 0.90 ABCB1 (0.35) ABCG2ABCB1TSHRCYP11B2HCRTR1
SCHEMBL21774107 0.90 ABCB1 (0.35) ABCG2ABCB1TSHRCYP11B2HCRTR1
SCHEMBL21775763 0.90 ABCG2 (0.39) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21749157 0.90 ABCB1 (0.39) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21775765 0.90 ABCB1 (0.39) ABCG2ABCB1TSHRMAPTALDH1A1
SCHEMBL21749208 0.89 HPGD (0.41) ABCG2ABCB1TSHRMAPTALDH1A1

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.