SCHEMBL16184553

SCHEMBL16184553

COc1cc(-c2cccc(F)c2F)cc2c(NC(C)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ DYRK1A Q13627 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ ABCB1 P08183 5/20 0.41
▸ ABCC1 P33527 2/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ GCK P35557 1/20 0.40
▸ ABCG2 Q9UNQ0 3/20 0.40

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
SCHEMBL16184473 0.93 CYP1A2 (0.49) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16183493 0.88 CYP1A2 (0.46) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16184582 0.88 CYP1A2 (0.47) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16184609 0.88 CYP1A2 (0.47) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL14474173 0.86 MAPT (0.47) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16184580 0.86 DYRK1A (0.43) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16184638 0.86 CYP1A2 (0.48) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL14474177 0.86 CYP1A2 (0.51) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL14474169 0.86 CYP1A2 (0.40) MAPTCYP1A2GMNNLMNACYP3A4
SCHEMBL16184666 0.86 ABCB1 (0.48) MAPTCYP1A2GMNNLMNACYP3A4

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 MAPT 509/4885CYP1A2 2971/4885GMNN 4224/4885

“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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