SCHEMBL16184381

SCHEMBL16184381

CNc1nc(-c2cnccn2)nc2c(F)cc(-c3ccc(F)cc3Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ROS1 P08922 2/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ LIMK1 P53667 5/20 0.35
▸ MAPK14 Q16539 3/20 0.35
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ LIMK2 P53671 3/20 0.35
▸ CASP6 P55212 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL16184374 0.93 NPC1 (0.44) NPC1RAB9AROS1ABL1LIMK1
SCHEMBL16184365 0.91 FEN1 (0.41) NPC1RAB9AALOX5APFEN1CLK1
SCHEMBL16184372 0.89 CYP1A2 (0.42) NPC1RAB9ALIMK1MAPK14ALOX5AP
SCHEMBL16184367 0.89 NPC1 (0.39) NPC1RAB9AABL1ALOX5APFEN1
SCHEMBL16184382 0.87 MAT2A (0.39) NPC1RAB9AALOX5APFEN1CLK1
SCHEMBL16184364 0.86 LATS1 (0.37) NPC1RAB9AALOX5APFEN1LATS1
SCHEMBL16184375 0.86 TGFBR1 (0.41) NPC1RAB9AALOX5APFEN1MAT2A
SCHEMBL16184379 0.85 NPC1 (0.36) NPC1RAB9AALOX5APFEN1MAT2A
SCHEMBL16184408 0.85 CYP1A2 (0.48) RAB9AROS1MAPK14CLK1
SCHEMBL16184373 0.85 NPC1 (0.36) NPC1RAB9AABL1LIMK1ALOX5AP

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 NPC1 2208/4885RAB9A 1340/4885ROS1 802/4885

“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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