SCHEMBL30956620

SCHEMBL30956620

O=c1c2c(Cl)cccc2ncn1CCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.50
▸ HSD17B13 Q7Z5P4 11/20 0.47
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ EIF4EBP1 Q13541 1/20 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
SCHEMBL30110935 0.82 MAPT (0.43) CNR1HSD17B13POLBALDH1A1KDM4E
SCHEMBL14161796 0.81 CNR1 (0.45) CNR1HSD17B13ALDH1A1KDM4EHSD17B10
SCHEMBL30110945 0.80 POLB (0.44) HSD17B13POLBALDH1A1KDM4EHSD17B10
SCHEMBL30111001 0.78 HSD17B10 (0.49) HSD17B13POLBALDH1A1KDM4EHSD17B10
SCHEMBL30111117 0.77 ALDH1A1 (0.52) HSD17B13POLBALDH1A1KDM4EHSD17B10
SCHEMBL30128842 0.76 HSD17B13 (0.49) HSD17B13POLBALDH1A1KDM4EHSD17B10
SCHEMBL30110965 0.76 HSD17B13 (0.58) CNR1HSD17B13KDM4E
SCHEMBL30111220 0.74 TRPA1 (0.49) HSD17B13POLBKDM4E
SCHEMBL30987296 0.74 HSD17B13 (0.41) CNR1HSD17B13ALDH1A1KDM4EHSD17B10
SCHEMBL30459462 0.73 PARP1 (0.47) HSD17B13ALDH1A1KDM4EHSD17B10PARP1

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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 — — 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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 CNR1 3639/4885HSD17B13 2663/4885POLB 4470/4885

“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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