SCHEMBL24233646

SCHEMBL24233646

CCc1nc(N2CCC3(CCCO3)CC2)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.55
KCNH2 Q12809 3/20 0.55
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL24233656 0.89 PTPN11 (0.57) PTPN11KCNH2MAPK3MAPK1
SCHEMBL24233660 0.87 PTPN11 (0.55) PTPN11KCNH2MAPK3MAPK1
SCHEMBL24233615 0.87 PTPN11 (0.55) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23425250 0.85 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL24233647 0.84 PTPN11 (0.52) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514254 0.81 PTPN11 (0.65) PTPN11KCNH2
SCHEMBL30295997 0.81 PTPN11 (0.78) PTPN11KCNH2
SCHEMBL19785106 0.81 PTPN11 (0.78) PTPN11KCNH2
SCHEMBL24233658 0.80 PTPN11 (0.60) PTPN11KCNH2
SCHEMBL24233638 0.76 PTPN11 (0.49) PTPN11KCNH2

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-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-02-03 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-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER PTPN18, PTPN7, PTPN1 PTPN11 14/4885KCNH2 4775/4885MAPK3 518/4885

“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.