SCHEMBL22792907

SCHEMBL22792907

CCc1cc2[nH]ncc2cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.53
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPK1 P28482 1/20 0.38
AXL P30530 1/20 0.38
IDH1 O75874 1/20 0.38
METAP2 P50579 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS1 P29475 5/20 0.36
DYRK1A Q13627 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL24455226 0.82 TRPA1 (0.54) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL19522374 0.82 TRPA1 (0.53) TRPA1CHEK1KDM4ETRPM8TRPV1
SCHEMBL17120530 0.77 TRPA1 (0.50) TRPA1CHEK1KDM4ETRPM8TRPV1
SCHEMBL21901141 0.76 CHEK1 (0.63) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL20618760 0.76 TRPA1 (0.50) TRPA1CHEK1KDM4ETRPM8TRPV1
SCHEMBL27445825 0.76 TRPA1 (0.52) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL7989217 0.75 TRPA1 (0.48) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL19792713 0.73 TRPA1 (0.53) TRPA1CHEK1KDM4ETRPM8TRPV1
SCHEMBL21341663 0.73 AXL (0.61) TRPA1CHEK1KDM4ETRPM8TRPV1
SCHEMBL24446592 0.73 TRPA1 (0.47) TRPA1CHEK1KDM4EMAPK1AXL

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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ TRPA1 4043/4885CHEK1 3411/4885KDM4E 1233/4885

“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.