SCHEMBL18328152

SCHEMBL18328152

CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.79
▸ KCNH2 Q12809 2/20 0.61
▸ 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
SCHEMBL20347129 0.92 PTPN11 (0.79) PTPN11KCNH2
SCHEMBL27263352 0.90 PTPN11 (0.63) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20347136 0.89 PTPN11 (0.85) PTPN11KCNH2
SCHEMBL27453794 0.89 PTPN11 (0.62) PTPN11KCNH2MAPK3MAPK1
SCHEMBL18328265 0.88 PTPN11 (1.00) PTPN11
SCHEMBL28648881 0.87 PTPN11 (0.82) PTPN11
SCHEMBL28658137 0.86 PTPN11 (0.80) PTPN11
SCHEMBL30874976 0.86 PTPN11 (0.69) PTPN11
SCHEMBL29192661 0.86 PTPN11 (0.69) PTPN11
SCHEMBL18328153 0.85 PTPN11 (0.73) PTPN11KCNH2MAPK3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 — — EP disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 — — US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — US disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 — — WO 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-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 PTPN11 12/4885KCNH2 3266/4885MAPK3 120/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 PTPN11 12/4885KCNH2 3261/4885MAPK3 127/4885

“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.

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