SCHEMBL16184989

SCHEMBL16184989

CNc1nc(-c2cccnc2)nc2c(OCCN3CCOCC3)cc(-c3cccc(F)c3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PIK3CA P42336 5/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CAMKK2 Q96RR4 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
SCHEMBL16184905 0.94 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16184992 0.93 SRC (0.41) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185001 0.92 DYRK1A (0.38) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185008 0.92 SRC (0.40) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185043 0.90 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185018 0.90 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16184933 0.89 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185075 0.88 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16184961 0.88 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL16185100 0.88 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6MEN1LMNA

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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