SCHEMBL6499286

SCHEMBL6499286

N#Cc1cccc(C2OC2(C#N)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.43
DRD2 P14416 8/20 0.43
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ENPP2 Q13822 1/20 0.37
CYP19A1 P11511 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL9739825 0.79 TAAR1 (0.36) TSHRNPSR1KDM1A
SCHEMBL9738560 0.77 ALDH1A1 (0.38) TSHRCASP1KDM1A
SCHEMBL4378996 0.69 DRD2 (0.50) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL29813085 0.69 DRD2 (0.50) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL18975675 0.69 DRD2 (0.46) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL6540021 0.69 DRD2 (0.50) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL16412900 0.69 DRD2 (0.50) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL4875328 0.68 DRD2 (0.67) DRD3DRD2ABCC9ABCC8KCNJ11
SCHEMBL10703931 0.68 MAPT (0.42) CASP1NPSR1MAOAMAOB
SCHEMBL17696870 0.68 DRD2 (0.53) DRD3DRD2ABCC9ABCC8KCNJ11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO 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 (2 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 DRD3 4406/4885DRD2 4574/4885ABCC9 703/4885
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 DRD3 4578/4885DRD2 4676/4885ABCC9 1299/4885

“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.