SCHEMBL22847746

SCHEMBL22847746

CCCC(C)(C)c1ccnc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.41
TLR8 Q9NR97 2/20 0.39
NOS3 P29474 5/20 0.36
NOS1 P29475 2/20 0.32
PTPN11 Q06124 1/20 0.30

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
SCHEMBL24140212 0.83 TDP1 (0.33)
SCHEMBL15889710 0.78 NOS2 (0.39) NOS2TLR8NOS3NOS1
SCHEMBL25101391 0.73 TDP1 (0.32) TLR8
SCHEMBL24375650 0.72 LRRK2 (0.37) NOS2NOS1
SCHEMBL31097846 0.71 NOS2 (0.39) NOS2NOS3NOS1
SCHEMBL20088854 0.71 NOS2 (0.39) NOS2NOS3NOS1
SCHEMBL19413025 0.69 NOS2 (0.35) NOS2TLR8NOS3
SCHEMBL25101446 0.68 TDP1 (0.40)
SCHEMBL21649191 0.68 LOXL2 (0.44)
SCHEMBL8134172 0.67 NOS2 (0.47) NOS2TLR8NOS3NOS1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 US disclosed
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-12-31 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 (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-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ NOS2 4606/4885TLR8 845/4885NOS3 4632/4885
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ NOS2 4606/4885TLR8 845/4885NOS3 4632/4885

“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.