SCHEMBL16184338

SCHEMBL16184338

CNc1nc(-c2cnccn2)nc2ccc(-c3ccc(F)cc3Cl)c(F)c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ROS1 P08922 2/20 0.38
▸ LIMK1 P53667 6/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ LIMK2 P53671 4/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ CASP6 P55212 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33

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
SCHEMBL16184332 0.93 NPC1 (0.47) NPC1RAB9AROS1LIMK1MAPK14
SCHEMBL16184324 0.89 CYP1A2 (0.44) NPC1RAB9ALIMK1MAPK14LIMK2
SCHEMBL14474740 0.89 NPC1 (0.42) NPC1RAB9ACYP11B2CASP6GPBAR1
SCHEMBL16184325 0.88 NPC1 (0.42) NPC1RAB9ACYP11B2ABL1CASP6
SCHEMBL16184318 0.88 NPC1 (0.41) NPC1RAB9ACYP11B2ABL1CASP6
SCHEMBL16184337 0.87 NPC1 (0.41) NPC1RAB9ALIMK1MAPK14LIMK2
SCHEMBL16184331 0.86 NPC1 (0.40) NPC1RAB9ALIMK1MAPK14LIMK2
SCHEMBL16184333 0.86 NPC1 (0.40) NPC1RAB9ALIMK1MAPK14METAP2
SCHEMBL14474746 0.86 NPC1 (0.39) NPC1RAB9ALIMK1MAPK14LIMK2
SCHEMBL16184335 0.86 NPC1 (0.41) NPC1RAB9ALIMK1MAPK14LIMK2

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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