SCHEMBL6954014

SCHEMBL6954014

N#CC1CN1C(=O)Nc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.50
▸ AR P10275 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ HTR2C P28335 4/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HTR2A P28223 3/20 0.46
▸ TRPM8 Q7Z2W7 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL6946115 0.83 NPC1 (0.49) GRIN2BNPC1RAB9APOLB
SCHEMBL7112664 0.72 ALDH1A1 (0.57) HTR2CNPC1RAB9AHTR2ALMNA
SCHEMBL6957288 0.71 MEN1 (0.52) NPC1PKMRAB9ALMNA
SCHEMBL5950094 0.71 THRB (0.61) GRIN2BHTR2CNPC1PKMRAB9A
SCHEMBL15529643 0.71 TRPV1 (0.60) GRIN2BHTR2CNPC1PKMRAB9A
SCHEMBL6947504 0.70 CA2 (0.52) —
SCHEMBL17607255 0.70 RAB9A (0.57) CYP11B1CYP11B2HTR2CNPC1PKM
SCHEMBL1960679 0.70 TRPV1 (0.58) GRIN2BHTR2CNPC1RAB9APOLB
SCHEMBL32668648 0.69 GRIN2B (0.55) GRIN2BHTR2CLMNAPOLB
SCHEMBL6304805 0.69 HTR2C (0.70) GRIN2BHTR2CNPC1RAB9AHTR2A

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
EP-1027041-B1 NOVEL CYANOAZIRIDINES FOR TREATING CANCER AMPLIMED INC (US) 2003-10-22 — — EP disclosed
US-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer VALLEY VENTURES III, L.P. 2003-07-10 — — US disclosed
US-6297230-B1 N-CARBAMOYL-SUBSTITUTED AMPLIMED, INC. 2001-10-02 — — 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-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer ABHD16A, PNLIP, LIPA GRIN2B 4678/4885AR 1206/4885CYP11B1 1639/4885

“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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