SCHEMBL12295381

SCHEMBL12295381

OCCN1CCN(c2ccc(Nc3ncnc4nc(-c5c(Cl)cccc5Cl)[nH]c34)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
TYK2 P29597 2/20 0.53
CDK4 P11802 6/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CCND1 P24385 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA1 P78396 1/20 0.45
WEE1 P30291 2/20 0.41
CTSC P53634 2/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 2/20 0.39
CDK6 Q00534 5/20 0.38
CDK9 P50750 4/20 0.38
CCNK O75909 3/20 0.38
CCND3 P30281 3/20 0.38
CCNT1 O60563 2/20 0.37
CDK11A Q9UQ88 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL2372541 0.87 JAK2 (0.60) JAK2TYK2WEE1TSHRSRC
SCHEMBL2372556 0.87 JAK2 (0.55) JAK2TYK2CDK4CCNA2CDK2
SCHEMBL12294740 0.85 TYK2 (0.71) JAK2TYK2WEE1TSHRSRC
SCHEMBL2382840 0.85 TYK2 (0.49) JAK2TYK2SRCCDK6CDK9
SCHEMBL2372700 0.83 JAK2 (0.58) JAK2TYK2WEE1SRCCYP3A4
SCHEMBL2372424 0.82 TYK2 (0.50) JAK2TYK2CDK4CCNA2CDK2
SCHEMBL2371610 0.80 TYK2 (0.64) JAK2TYK2WEE1TSHRSRC
SCHEMBL12296260 0.77 JAK2 (0.48) JAK2TYK2CDK4CCNA2CDK2
SCHEMBL2372584 0.76 TYK2 (0.60) JAK2TYK2CDK4CCNA2CDK2
SCHEMBL2372667 0.76 JAK2 (0.44) JAK2TYK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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 (1 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 JAK2 6/4885TYK2 1/4885CDK4 143/4885

“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.