SCHEMBL3838995

SCHEMBL3838995

O[C@H]1Cc2ccccc2[C@H]1Nc1cncc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.42
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
P2RX7 Q99572 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 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
SCHEMBL6643797 0.84 MAPK1 (0.41) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL3843108 0.84 MAPK1 (0.41) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL3843570 0.81 MEN1 (0.47) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL2062213 0.74 AURKA (0.47) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL6642802 0.73 MAPK1 (0.46) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL3838984 0.73 MAPK1 (0.46) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL5208506 0.73 FADS1 (0.50) CDK2P2RX7CYP3A4MAPK1MEN1
SCHEMBL5934508 0.71 LMNA (0.54) ALDH1A1
SCHEMBL3843091 0.71 MEN1 (0.44) AURKARPS6KB1P2RX7CYP3A4CYP2C9
SCHEMBL3845218 0.71 MAPK1 (0.42) CNR1CNR2SLC6A4SLC6A3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A CDK2 519/4885AURKA 3180/4885RPS6KB1 2006/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CDK2 519/4885AURKA 3180/4885RPS6KB1 2006/4885

“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.