SCHEMBL21775747

SCHEMBL21775747

CCC1(C(=O)O)CCCN(c2c(C(C)C)c(C)nc3cc(-c4ccc(Cl)cc4)nn23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.44
ABCB1 P08183 3/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 2/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 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
SCHEMBL21749163 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL20502077 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21775861 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21775783 0.93 ABCB1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21774116 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21775681 0.92 ABCB1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL21775506 0.92 ABCB1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21774098 0.91 DPP4 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21774114 0.91 HPGD (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL21775634 0.91 DPP4 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1

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 585/4885KDM4E 2972/4885HPGD 1684/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ALDH1A1 585/4885KDM4E 2972/4885HPGD 1684/4885

“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.