SCHEMBL19360168

SCHEMBL19360168

CC(C)(C)c1nc2c(c(C(C)(C)C)n1)CCC1CCCCN21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19360188 0.96 NOS3 (0.37) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL19362225 0.84 HTR2A (0.33) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL19360184 0.80 CNR2 (0.39) CNR2
SCHEMBL19360165 0.78 NOS3 (0.33) NOS3NOS1
SCHEMBL19362356 0.76 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL19360159 0.73 NOS3 (0.37) NOS3NOS1
SCHEMBL19362357 0.71 HTR2A (0.38) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL19360169 0.69 HIF1A (0.33) —
SCHEMBL19360162 0.69 HIF1A (0.33) —
SCHEMBL19360179 0.67 — —

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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 — — US disclosed
US-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 — — 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 (1 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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX PSMG3, PSME1, PSMB3 HTR2A 3139/4885HTR2C 3189/4885HTR2B 3578/4885

“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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