SCHEMBL29919700

SCHEMBL29919700

Nc1cc(Nc2cc(Cl)ccn2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.53
JAK2 O60674 2/20 0.46
TYK2 P29597 2/20 0.46
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
GRM4 Q14833 1/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
EGFR P00533 6/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL28936140 1.00 SCN9A (0.53) SCN9AJAK2TYK2CDK1CCNB1
SCHEMBL17974211 0.79 JAK2 (0.47) SCN9AJAK2TYK2CDK1CCNB1
SCHEMBL16916919 0.79 JAK2 (0.52) JAK2TYK2CCNA2CDK2CDK5
SCHEMBL31247573 0.79 KDM4E (0.57) SCN9AJAK2CDK1CCNB1CCNA2
SCHEMBL31240734 0.78 HTR3E (0.50) SCN9AJAK2TYK2GRM4KCNH2
SCHEMBL28936155 0.77 SCN9A (0.55) SCN9ACDK1CCNB1CCNA2CCNE1
SCHEMBL29919766 0.77 SCN9A (0.55) SCN9ACDK1CCNB1CCNA2CCNE1
SCHEMBL374472 0.76 EGFR (0.64) SCN9ACDK1CCNB1CCNA2CCNE1
SCHEMBL16926547 0.74 MEN1 (0.53) JAK2TYK2GRM4KDRMAPK10
SCHEMBL28038987 0.74 HSP90AA1 (0.54) SCN9AJAK2TYK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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 (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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 SCN9A 779/4885JAK2 735/4885TYK2 455/4885

“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.