SCHEMBL24233642

SCHEMBL24233642

Cc1nc(N2CCC3(CCCO3)CC2)c(CO)nc1-c1ccc(Cl)c(C#N)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.51
KCNH2 Q12809 2/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL24233675 0.85 PTPN11 (0.71) PTPN11KCNH2EGFR
SCHEMBL21154419 0.85 PTPN11 (0.71) PTPN11KCNH2EGFRMAPK1
SCHEMBL25514498 0.82 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL24233630 0.81 PTPN11 (0.58) PTPN11KCNH2EGFRMAPK1CYP11B1
SCHEMBL23186806 0.81 PTPN11 (0.53) PTPN11KCNH2EGFR
SCHEMBL24233607 0.81 PTPN11 (0.53) PTPN11KCNH2EGFRCYP11B1CYP11B2
SCHEMBL21154878 0.81 PTPN11 (0.54) PTPN11KCNH2EGFRALDH1A1HPGD
SCHEMBL24233621 0.81 PTPN11 (0.51) PTPN11KCNH2EGFR
SCHEMBL24233691 0.80 PTPN11 (0.50) PTPN11KCNH2EGFR
SCHEMBL24233641 0.80 PTPN11 (0.47) PTPN11KCNH2EGFRCYP11B1CYP11B2

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 4775/4885EGFR 116/4885

“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.