SCHEMBL3843091

SCHEMBL3843091

COC(=O)c1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cnc1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 3/20 0.42
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MMP9 P14780 7/20 0.39
MMP2 P08253 6/20 0.39
MMP1 P03956 5/20 0.39
MMP8 P22894 5/20 0.39
P2RX7 Q99572 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3838984 0.84 MAPK1 (0.46) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL6642802 0.84 MAPK1 (0.46) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL3841623 0.79 CNR1 (0.40) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL3843570 0.79 MEN1 (0.47) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL6643797 0.73 MAPK1 (0.41) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL3843108 0.73 MAPK1 (0.41) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL3838995 0.71 CDK2 (0.42) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL3843269 0.71 CNR1 (0.39) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL12713123 0.70 MEN1 (0.42) MEN1ALDH1A1KMT2AMAPK1AURKA
SCHEMBL12713133 0.70 MEN1 (0.42) MEN1ALDH1A1KMT2AMAPK1AURKA

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
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
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A MEN1 4846/4885ALDH1A1 265/4885KMT2A 1010/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A MEN1 4846/4885ALDH1A1 265/4885KMT2A 1010/4885

“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.