SCHEMBL16706002

SCHEMBL16706002

CC#Cc1ncc(-c2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.37
GSK3B P49841 1/20 0.37
GRM5 P41594 1/20 0.37
PSMB5 P28074 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL16706004 0.84 CYP1A2 (0.42) CYP1A1CYP1A2CYP1B1RAB9ANPC1
SCHEMBL16706018 0.80 MEN1 (0.35) CYP1A1CYP1A2CYP1B1RAB9ANPC1
SCHEMBL1509663 0.74 RAB9A (0.54) CYP1A2RAB9ANPC1NFKB1NFKB2
SCHEMBL11978713 0.71 L3MBTL1 (0.54) CYP1A1CYP1A2CYP1B1RAB9ANPC1
SCHEMBL2616801 0.70 RAB9A (0.61) CYP1A2RAB9ANPC1NFKB1NFKB2
SCHEMBL12422698 0.70 CCR1 (0.35)
SCHEMBL29392 0.69
SCHEMBL17055533 0.69 RAB9A (0.58) CYP1A2RAB9ANPC1NFKB1NFKB2
SCHEMBL5680537 0.69 CYP1A2 (1.00) CYP1A1CYP1A2CYP1B1RAB9ANPC1
SCHEMBL2117282 0.67 NPC1 (1.00) RAB9ANPC1NFKB1NFKB2RELA

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-9755155-B2 Organic compounds containing squaric acid or croconic acid moieties for application in electronic devices SONY CORPORATION (JP) 2017-09-05 US disclosed
US-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SONY CORPORATION (JP) 2015-05-14 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-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SQLE, ACSL1, ACSL3 CYP1A1 785/4885CYP1A2 374/4885CYP1B1 1190/4885

“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.