SCHEMBL16186402

SCHEMBL16186402

CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(C(=O)Nc4nncs4)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.48
RAB9A P51151 3/20 0.43
ABCG2 Q9UNQ0 3/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
LMNA P02545 2/20 0.40
SCN9A Q15858 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
GMNN O75496 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2B P29275 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KARS1 Q15046 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16186399 0.88 ABL1 (0.53) RAB9AABCG2ABL1BCRSCN9A
SCHEMBL16186309 0.85 AQP4 (0.53) AQP4RAB9AABCG2LMNACYP1A2
SCHEMBL16184419 0.83 KMO (0.51) ABCG2ABL1BCRLMNACYP1A2
SCHEMBL14358703 0.78 ABCG2 (0.52) RAB9AABCG2LMNACYP1A2CYP3A4
SCHEMBL16183623 0.78 CYP1A2 (0.49) RAB9AABCG2LMNACYP1A2CYP3A4
SCHEMBL16183564 0.77 CYP1A2 (0.48) RAB9AABCG2LMNACYP1A2CYP3A4
SCHEMBL16183618 0.77 CYP1A2 (0.48) RAB9AABCG2LMNACYP1A2CYP3A4
SCHEMBL16184845 0.76 CYP1A2 (0.52) RAB9AABCG2LMNACYP1A2CYP3A4
SCHEMBL16184451 0.76 CYP1A2 (0.43) RAB9AABCG2LMNASCN9ACYP1A2
SCHEMBL16186442 0.76 ABCB1 (0.46) ABCG2LMNACYP1A2CYP3A4GMNN

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 1 patent. 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

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 AQP4 1628/4885RAB9A 1340/4885ABCG2 1597/4885

“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.