SCHEMBL6846624

SCHEMBL6846624

N#CC(O)(C#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CYP2D6 P10635 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNN4 O15554 1/20 0.38
LMNA P02545 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP3A4 P08684 2/20 0.37

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
SCHEMBL639889 0.79 ATM (0.41) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL8755619 0.79 ALDH1A1 (0.41) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL28857197 0.77 ALDH1A1 (0.40) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL16428437 0.75 TSHR (0.46) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL200076 0.75 TSHR (0.46) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL200565 0.75 ALDH1A1 (0.43) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL27390196 0.75 ALDH1A1 (0.43) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL3995663 0.75 ALDH1A1 (0.43) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL1444134 0.75 ATM (0.45) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL18133808 0.74 TSHR (0.43) ATMCYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors HOBBS FRANK WORDEN (US) 2004-05-06 US disclosed
US-6703420-B1 MITOGEN ACTIVATED PROTEIN KINASE (MAPK) INHIBITORS; ANTIINFLAMMATORY, ANTICARCINOGENIC, OR ANTIPROLIFERATIVE AGENTS; RADIOSENSITIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-09 US disclosed
US-20020058699-A1 Methods for treating seizure disorders by inhibiting MAPK pathway activation BAYLOR COLLEGE OF MEDICINE 2002-05-16 US disclosed
WO-2002002097-A2 METHODS FOR TREATING SEIZURE DISORDERS BY INHIBITING MAPK PATHWAY ACTIVATION WITH NITRILES SWEATT J DAVID (US) 2002-01-10 WO disclosed
EP-1163215-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-12-19 EP disclosed
WO-2000056706-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-09-28 WO disclosed
US-4698333-A Use of substituted malonic acid derivatives as agents for combating pests BAYER AKTIENGESELLSCHAFT (DE) 1987-10-06 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 (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-20020058699-A1 Methods for treating seizure disorders by inhibiting MAPK pathway activation MAPKAPK2, MAPK1, MAPK4 ATM 1153/4885CYP2D6 4083/4885DRD2 2800/4885
US-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors MAPK1, MAP3K1, CDKN1A ATM 10/4885CYP2D6 1227/4885DRD2 4606/4885

“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.