SCHEMBL23064049

SCHEMBL23064049

CC1(N)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.71
KCNH2 Q12809 3/20 0.51
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL30677217 1.00 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23063939 0.91 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30677174 0.88 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23100852 0.88 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23100844 0.88 PTPN11 (0.69) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30809748 0.88 PTPN11 (0.69) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23126447 0.87 PTPN11 (0.72) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23063963 0.87 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23064013 0.86 PTPN11 (0.72) PTPN11
SCHEMBL30677173 0.86 PTPN11 (0.72) PTPN11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2024-03-19 US disclosed
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 CN disclosed
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Cantero Therapeutics, Inc. 2021-10-14 US disclosed
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Cantero Therapeutics, Inc. 2021-10-14 US disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 US disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 US disclosed
EP-3787627-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Navire Pharma, Inc. (US) 2021-03-10 EP disclosed
CN-112351780-A Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2021-02-09 CN 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-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885KCNH2 4200/4885MAPK3 204/4885
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885KCNH2 4200/4885MAPK3 204/4885
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885KCNH2 4200/4885MAPK3 204/4885

“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.