SCHEMBL21757774

SCHEMBL21757774

Cc1cc(C2CC2)n2ccc(C(=O)NC3CCC(c4ccco4)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KDM4E B2RXH2 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
GLA P06280 3/20 0.40
RECQL P46063 2/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 7/20 0.39
POLB P06746 4/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 1/20 0.39
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL17743013 0.91 KDM4E (0.44) CACNA1BAPBA1KDM4ETDP1GLA
SCHEMBL22472780 0.84 TDP1 (0.36) CACNA1BAPBA1KDM4ETDP1GLA
SCHEMBL22767219 0.84 ALDH1A1 (0.54) KDM4EALDH1A1POLBHPGDCASP1
SCHEMBL21757540 0.84 ALDH1A1 (0.55) KDM4ETDP1GLAALDH1A1POLB
SCHEMBL21483516 0.81 CRHR1 (0.44) CACNA1BAPBA1KDM4ETDP1GLA
SCHEMBL23511968 0.78 SCD (0.40) CACNA1BAPBA1KDM4ETDP1RECQL
SCHEMBL23511969 0.77 HTR4 (0.41) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL20337393 0.77 CD38 (0.42) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL17743276 0.77 CD38 (0.42) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL20348413 0.76 CD38 (0.42) ALDH1A1MEN1KMT2AMAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP 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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP CACNA1B 3070/4885APBA1 617/4885KDM4E 926/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP CACNA1B 3070/4885APBA1 617/4885KDM4E 926/4885

“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.