SCHEMBL4781046

SCHEMBL4781046

CCc1n[nH]c2ccc(C(=O)NN)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.48
JAK1 P23458 5/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TTK P33981 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 7/20 0.42
MAPK3 P27361 4/20 0.42
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
ULK1 O75385 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL4783159 0.89 JAK2 (0.46) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL1144846 0.84 MAP2K4 (0.50) JAK2JAK1KDM4EALDH1A1MAPK1
SCHEMBL4899295 0.83 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPK1MAP2K4
SCHEMBL4780688 0.82 JAK2 (0.50) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL13495835 0.82 JAK2 (0.68) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL4149673 0.80 JAK2 (0.40) JAK2JAK1KDM4ELMNAMAPT
SCHEMBL4783157 0.79 JAK2 (0.47) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL15287720 0.76 HSP90AA1 (0.41) ALDH1A1MAPTGAACDK8
SCHEMBL14873241 0.76 MAPK1 (0.47) ALDH1A1MAPTTTKPOLBMAPK1
SCHEMBL6650684 0.75 CHRNA7 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR JAK2 1/4885JAK1 41/4885KDM4E 1212/4885

“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.