SCHEMBL21775646

SCHEMBL21775646

Cc1ccc(-c2cc3nc(C)c(C(C)C)c(N4CCCC(C)(C(=O)O)C4)n3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 7/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 6/20 0.39
LMNA P02545 5/20 0.39
HCRTR1 O43613 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL21775601 0.94 ABCB1 (0.46) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21775764 0.93 ABCB1 (0.44) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21775746 0.93 DGAT1 (0.43) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21775741 0.93 DGAT1 (0.43) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21749207 0.93 DGAT1 (0.43) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21774113 0.92 ABCB1 (0.43) ABCB1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL21775864 0.90 ABCG2 (0.40) ABCB1ABCG2ALDH1A1MAPTHPGD
SCHEMBL21775744 0.90 ABCG2 (0.40) ABCB1ABCG2ALDH1A1MAPTHPGD
SCHEMBL21749150 0.90 ABCG2 (0.40) ABCB1ABCG2ALDH1A1MAPTHPGD
SCHEMBL21775569 0.87 ABCG2 (0.40) ABCB1ABCG2ALDH1A1KDM4EMAPT

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 243/4885ABCG2 136/4885ALDH1A1 585/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885ABCG2 136/4885ALDH1A1 585/4885

“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.