SCHEMBL29910352

SCHEMBL29910352

CC1(CN)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.71
KCNH2 Q12809 4/20 0.69
MAPK3 P27361 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL19641090 1.00 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL29910358 0.92 PTPN11 (0.70) PTPN11KCNH2
SCHEMBL19651404 0.92 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19651465 0.92 PTPN11 (0.70) PTPN11KCNH2
SCHEMBL19641293 0.92 PTPN11 (0.71) PTPN11KCNH2
SCHEMBL19641121 0.92 PTPN11 (0.71) PTPN11KCNH2
SCHEMBL29910403 0.92 PTPN11 (0.71) PTPN11KCNH2
SCHEMBL20007948 0.91 PTPN11 (0.61) PTPN11KCNH2
SCHEMBL19656641 0.91 PTPN11 (0.59) PTPN11KCNH2
SCHEMBL26170397 0.91 PTPN11 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-13 US disclosed
US-11466017-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-11 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 (3 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-11466017-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP PTPN11 2/4885KCNH2 4300/4885MAPK3 206/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP PTPN11 2/4885KCNH2 4300/4885MAPK3 206/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP PTPN11 2/4885KCNH2 4300/4885MAPK3 206/4885

“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.