SCHEMBL16183518

SCHEMBL16183518

Nc1nc(-c2cncnc2)nc2ccc(Br)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.54
▸ CYP1A1 P04798 5/20 0.50
▸ CYP1A2 P05177 5/20 0.50
▸ CYP1B1 Q16678 5/20 0.50
▸ ADRB2 P07550 1/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BCHE P06276 5/20 0.38
▸ ACHE P22303 5/20 0.38
▸ GRIN1 Q05586 5/20 0.38
▸ GRIN2A Q12879 5/20 0.38
▸ NT5E P21589 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37

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
SCHEMBL2154726 0.84 KMT2A (0.55) HTTCYP1A1CYP1A2CYP1B1ADRB2
SCHEMBL13272944 0.83 HTT (0.55) HTTCYP1A1CYP1A2CYP1B1ADRB2
SCHEMBL16183513 0.79 CYP1A2 (0.50) HTTCYP1A1CYP1A2KMT2AGBA1
SCHEMBL17803702 0.78 CYP1A2 (0.61) CYP1A1CYP1A2CYP1B1KMT2AACHE
SCHEMBL16183523 0.77 CYP1A2 (0.49) HTTCYP1A1CYP1A2CYP1B1ADRB2
SCHEMBL16183519 0.75 MAP4K4 (0.58) NT5EADORA2AADORA1
SCHEMBL14475168 0.74 PIK3CA (0.49) CYP1A2KMT2AADORA2AADORA1NPSR1
SCHEMBL4358438 0.73 HTT (0.68) HTTADRB2ADORA2A
SCHEMBL29649743 0.73 HTT (0.68) HTTADRB2ADORA2A
SCHEMBL14727632 0.72 CYP1A2 (0.50) CYP1A1CYP1A2CYP1B1RXFP1KMT2A

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB HTT 1176/4885CYP1A1 3122/4885CYP1A2 2971/4885

“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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