SCHEMBL4780688

SCHEMBL4780688

Cc1n[nH]c2ccc(C(=O)NN)cc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
JAK1 P23458 4/20 0.50
MAPK1 P28482 13/20 0.49
MAPK3 P27361 7/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAP2K4 P45985 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7984131 0.85 MAPK1 (0.53) JAK2JAK1MAPK1MAPK3KDM4E
SCHEMBL13495835 0.84 JAK2 (0.68) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL23559721 0.83 MAP2K4 (0.58) JAK2JAK1MAPK1MAP2K4MAPKAPK2
SCHEMBL4781046 0.82 JAK2 (0.48) JAK2JAK1MAPK1MAPK3KDM4E
SCHEMBL4783157 0.81 JAK2 (0.47) JAK2JAK1MAPK1MAPK3KDM4E
SCHEMBL10325224 0.81 SCN9A (0.45) JAK2JAK1MAPK1MAPK3POLB
SCHEMBL16125525 0.81 MAPK1 (0.58) MAPK1MAPK3KDM4EALDH1A1LMNA
SCHEMBL16308650 0.81 KIF11 (0.50) JAK2JAK1MAPK1MAPK3KDM4E
SCHEMBL1145076 0.81 MAP2K4 (0.57) JAK2JAK1MAPK1MAPK3KDM4E
SCHEMBL31504557 0.81 MAP2K4 (0.57) JAK2JAK1MAPK1MAPK3KDM4E

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
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
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 41/4885MAPK1 115/4885

“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.