SCHEMBL22477400

SCHEMBL22477400

CC(C)CCN1CCC2(CC1)CC(N(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL22477390 0.85 ALOX15 (0.42) ALOX15NOS3NOS1NOS2CYP2D6
SCHEMBL22477429 0.83 CYP2D6 (0.47) CYP2D6SMN1; SMN2
SCHEMBL26147483 0.79 CYP2D6 (0.33) CYP2D6SMN1; SMN2
SCHEMBL4546598 0.79 CYP2D6 (0.34) CYP2D6SMN1; SMN2
SCHEMBL22268039 0.77 NOS3 (0.45) NOS3NOS1NOS2CCR5
SCHEMBL23135139 0.74 CYP2D6 (0.41) ALOX15CYP2D6SMN1; SMN2
SCHEMBL22477421 0.74 CYP2D6 (0.41) ALOX15CYP2D6SMN1; SMN2
SCHEMBL22477401 0.74 CYP2D6 (0.41) ALOX15CYP2D6SMN1; SMN2
SCHEMBL22520121 0.74 TSHR (0.30) —
SCHEMBL23135133 0.73 CYP2D6 (0.40) CYP2D6SMN1; SMN2

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-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 — — US disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 — — US disclosed
EP-3715343-A1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2020-09-30 — — EP 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-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK ALOX15 2116/4885NOS3 4185/4885NOS1 3033/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK ALOX15 1717/4885NOS3 4315/4885NOS1 3338/4885

“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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