SCHEMBL16184358

SCHEMBL16184358

CNc1nc(-c2cnccn2)nc2c(F)c(-c3ccccc3OC)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 14/20 0.48
▸ CYP3A4 P08684 14/20 0.48
▸ CYP2D6 P10635 13/20 0.48
▸ HSD17B10 Q99714 13/20 0.48
▸ CYP2C19 P33261 11/20 0.48
▸ ALDH1A1 P00352 9/20 0.48
▸ TDP1 Q9NUW8 6/20 0.48
▸ LMNA P02545 6/20 0.48
▸ MAPK1 P28482 5/20 0.48
▸ TSHR P16473 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ PTPN1 P18031 1/20 0.42
▸ ALOX15 P16050 6/20 0.40
▸ USP2 O75604 4/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.39
▸ HPGD P15428 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL16184359 0.87 PIM1 (0.39) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184355 0.85 ALOX5AP (0.35) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184357 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184363 0.84 SCN9A (0.36) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184340 0.84 NPC1 (0.38) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184347 0.84 SYK (0.41) CYP3A4CYP2D6CYP2C19KDM4ENPC1
SCHEMBL16184352 0.82 CYP17A1 (0.43) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL14474743 0.82 NPC1 (0.42) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL16184348 0.81 NPC1 (0.41) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL16184351 0.80 NPC1 (0.37) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19

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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