SCHEMBL3845859

SCHEMBL3845859

Cc1cnc(C2CC2)c(N[C@@H]2c3ccccc3C[C@@H]2O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 3/20 0.37
P2RX7 Q99572 1/20 0.36
SMO Q99835 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR1 P34998 1/20 0.34
NAE1 Q13564 1/20 0.34
UBA3 Q8TBC4 1/20 0.34

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
SCHEMBL3845873 0.88 AURKA (0.43) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL3838887 0.88 AURKA (0.43) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL3838878 0.86 AURKA (0.41) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL6644533 0.86 AURKA (0.41) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL3842059 0.85 AURKA (0.47) AURKARPS6KB1CYP3A4CYP2C9MAPK1
SCHEMBL3841610 0.82 AURKA (0.41) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL6643610 0.81 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL3842234 0.81 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL3840868 0.80 AURKA (0.43) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL6641894 0.80 AURKA (0.43) AURKARPS6KB1JAK2JAK1TYK2

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 AURKA 3180/4885RPS6KB1 2006/4885JAK2 1301/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A AURKA 3180/4885RPS6KB1 2006/4885JAK2 1301/4885

“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.