SCHEMBL29677191

SCHEMBL29677191

Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H]3N)cnc1Sc1ccnc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 1.00
MAPK3 P27361 1/20 0.65
MAPK1 P28482 1/20 0.65

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
SCHEMBL29677084 1.00 PTPN11 (1.00) PTPN11MAPK3MAPK1
SCHEMBL16925048 1.00 PTPN11 (1.00) PTPN11MAPK3MAPK1
SCHEMBL16925047 1.00 PTPN11 (1.00) PTPN11MAPK3MAPK1
SCHEMBL31184222 0.94 PTPN11 (0.88) PTPN11MAPK3MAPK1
SCHEMBL16914211 0.94 PTPN11 (0.88) PTPN11MAPK3MAPK1
SCHEMBL20032855 0.90 PTPN11 (0.82) PTPN11
SCHEMBL20032884 0.90 PTPN11 (0.82) PTPN11
SCHEMBL20382829 0.89 PTPN11 (0.81) PTPN11
SCHEMBL20032861 0.89 PTPN11 (0.81) PTPN11
SCHEMBL16925211 0.88 PTPN11 (1.00) PTPN11MAPK3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110730678-B Pharmaceutical combination comprising an ALK inhibitor and an SHP2 inhibitor 诺华股份有限公司 2022-07-15 CN claimed
US-12053470-B2 Pharmaceutical combination comprising an ALK inhibitor and a SHP2 inhibitor NOVARTIS AG (CH) 2024-08-06 US disclosed
US-20220241277-A1 PHARMACEUTICAL COMBINATION COMPRISING AN ALK INHIBITOR AND A SHP2 INHIBITOR NOVARTIS AG (CH) 2022-08-04 US disclosed
CN-110730678-B Pharmaceutical combination comprising an ALK inhibitor and an SHP2 inhibitor 诺华股份有限公司 2022-07-15 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 (2 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-12053470-B2 Pharmaceutical combination comprising an ALK inhibitor and a SHP2 inhibitor ALK, PTPRJ, PTPN1 PTPN11 10/4885MAPK3 406/4885MAPK1 367/4885
US-20220241277-A1 PHARMACEUTICAL COMBINATION COMPRISING AN ALK INHIBITOR AND A SHP2 INHIBITOR ALK, PTPRJ, PTPN1 PTPN11 10/4885MAPK3 406/4885MAPK1 367/4885

“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.