SCHEMBL16185124

SCHEMBL16185124

CNc1nc(-c2ncccn2)nc2c(OC)cc(-c3ccccc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ CYP2D6 P10635 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ERN1 O75460 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39

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
SCHEMBL14474681 0.92 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16185123 0.91 LMNA (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16185127 0.89 KDM4E (0.37) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL14474683 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL14474200 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16185126 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL14475254 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16184182 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16183565 0.85 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16185125 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA

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 CYP1A2 2971/4885CYP3A4 4456/4885CYP2D6 4357/4885

“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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