SCHEMBL31379947

SCHEMBL31379947

Cc1cc(C)n2ncc(C(=O)NC3CCCc4ccccc43)c2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ SPR P35270 2/20 0.61
▸ TAS1R3 Q7RTX0 6/20 0.57
▸ TAS1R1 Q7RTX1 6/20 0.57
▸ TAS1R2 Q8TE23 6/20 0.57
▸ PDE2A O00408 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL17739963 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBSPRTAS1R3
SCHEMBL19036929 0.94 PDE2A (0.63) ALDH1A1KDM4EPOLBSPRTAS1R3
SCHEMBL19579149 0.83 KDM4E (0.59) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL17743289 0.83 KDM4E (0.59) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL19555629 0.83 KDM4E (0.59) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL19555656 0.80 KDM4E (0.56) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL17743166 0.78 KDM4E (0.58) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL17730266 0.78 KDM4E (0.58) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL18357160 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ESPRTAS1R3TAS1R1
SCHEMBL17743195 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ESPRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066364-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2025-02-27 — — 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 (1 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-20250066364-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA ALDH1A1 1213/4885KDM4E 899/4885POLB 159/4885

“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.

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