SCHEMBL21774107

SCHEMBL21774107

Cc1nc2cc(-c3ccc(C(F)(F)F)cc3F)nn2c(N2CCC[C@](C(=O)O)(C(C)C)C2)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
SLC6A9 P48067 1/20 0.33
NR1I2 O75469 1/20 0.32
MCHR1 Q99705 1/20 0.32
PDE2A O00408 1/20 0.32
MPL P40238 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
APP P05067 1/20 0.31
TSHR P16473 1/20 0.31
RIPK1 Q13546 1/20 0.31
PDF Q9HBH1 1/20 0.31
BTK Q06187 2/20 0.30

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
SCHEMBL21775759 1.00 ABCB1 (0.35) ABCB1CYP11B1CYP11B2ABCG2SLC6A9
SCHEMBL21749168 1.00 ABCB1 (0.35) ABCB1CYP11B1CYP11B2ABCG2SLC6A9
SCHEMBL21774099 0.92 ABCB1 (0.34) ABCB1ABCG2MCHR1HCRTR1HCRTR2
SCHEMBL21775755 0.92 ABCB1 (0.34) ABCB1ABCG2MCHR1HCRTR1HCRTR2
SCHEMBL21775748 0.92 ABCB1 (0.34) ABCB1ABCG2MCHR1HCRTR1HCRTR2
SCHEMBL21749160 0.90 ABCG2 (0.40) ABCB1CYP11B2ABCG2MCHR1HCRTR1
SCHEMBL21749156 0.90 ABCG2 (0.40) ABCB1CYP11B2ABCG2MCHR1HCRTR1
SCHEMBL21774076 0.90 ABCG2 (0.40) ABCB1CYP11B2ABCG2MCHR1HCRTR1
SCHEMBL21775643 0.90 BTK (0.36) ABCB1CYP11B1CYP11B2ABCG2SLC6A9
SCHEMBL21775869 0.90 BTK (0.36) ABCB1CYP11B1CYP11B2ABCG2SLC6A9

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 243/4885CYP11B1 254/4885CYP11B2 326/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885CYP11B1 254/4885CYP11B2 326/4885

“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.