SCHEMBL240601

SCHEMBL240601

N=C1c2ccccc2C(=N)N1c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ HTR3A P46098 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ AURKA O14965 1/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TRPC3 Q13507 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ GLA P06280 1/20 0.44

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
SCHEMBL11700921 0.79 AURKA (0.54) BCHEACHEHTR3ATP53AURKA
SCHEMBL29110623 0.74 AURKA (0.55) BCHEACHEHTR3ATP53AURKA
SCHEMBL20472708 0.72 BCHE (0.54) BCHEACHEHTR3ATP53AURKA
SCHEMBL3389271 0.71 BCHE (0.56) BCHEACHEHTR3ATP53AURKA
SCHEMBL31727716 0.70 BCHE (0.55) BCHEACHEHTR3ATP53AURKA
SCHEMBL9554794 0.69 BCHE (0.54) BCHEACHEHTR3ATP53AURKA
SCHEMBL2674037 0.68 BCHE (0.90) BCHEACHEHTR3ATP53RAB9A
SCHEMBL15052362 0.68 BCHE (0.53) BCHEACHEHTR3ATP53AURKA
SCHEMBL2676103 0.68 BCHE (0.96) BCHEACHEHTR3ATP53RAB9A
SCHEMBL227743 0.67 NPC1 (0.78) TP53RAB9AALDH1A1NPC1KDM4E

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
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-04-26 — — US disclosed
US-8106393-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-31 — — US disclosed
US-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-01-05 — — US disclosed
US-7919770-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2011-04-05 — — US disclosed
US-20110015388-A1 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom UNITED STATES DEPARTMENT OF ENERGY 2011-01-20 — — 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-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT BCHE 36/4885ACHE 133/4885HTR3A 99/4885
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT BCHE 36/4885ACHE 133/4885HTR3A 99/4885

“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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