SCHEMBL21775682

SCHEMBL21775682

CCc1ccc(-c2cc3nc(C)c(C(C)C)c(N4CCCC(C(=O)O)(C(C)C)C4)n3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ABCB1 P08183 7/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
USP2 O75604 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
HPGD P15428 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL21749208 0.90 HPGD (0.41) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21749199 0.90 HPGD (0.41) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL20503094 0.90 HPGD (0.41) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21774076 0.87 ABCG2 (0.40) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21749160 0.87 ABCG2 (0.40) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21749156 0.87 ABCG2 (0.40) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21775763 0.85 ABCG2 (0.39) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21775775 0.85 ABCG2 (0.39) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21775651 0.84 ABCB1 (0.39) ALDH1A1MAPTTSHRLMNAABCB1
SCHEMBL21749157 0.84 ABCB1 (0.39) ALDH1A1MAPTTSHRLMNAABCB1

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 ALDH1A1 585/4885MAPT 2067/4885TSHR 698/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ALDH1A1 585/4885MAPT 2067/4885TSHR 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.