SCHEMBL5693205

SCHEMBL5693205

C(=Cc1n[nH]c2ccccc12)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.62
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
LRRK2 Q5S007 2/20 0.53
IDO1 P14902 1/20 0.53
CDK4 P11802 2/20 0.52
CDK1 P06493 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CDK2 P24941 1/20 0.52
CCND3 P30281 1/20 0.52
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDR P35968 6/20 0.47
FGFR1 P11362 2/20 0.47
BMPR1B O00238 1/20 0.45
PLK4 O00444 1/20 0.45
STK25 O00506 1/20 0.45

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
SCHEMBL5693202 1.00 CHEK1 (0.62) CHEK1CYP11B1CYP11B2LRRK2IDO1
SCHEMBL12764197 0.85 CHEK1 (0.62) CHEK1CYP11B1CYP11B2CDK4CDK1
SCHEMBL2458765 0.84 CHEK1 (0.67) CHEK1LRRK2CDK4CDK1CCNA2
SCHEMBL2458766 0.84 CHEK1 (0.67) CHEK1LRRK2CDK4CDK1CCNA2
SCHEMBL30633894 0.83 CHEK1 (0.63) CHEK1LRRK2CDK4CDK1CCNA2
SCHEMBL7502145 0.82 CYP11B1 (0.51) CHEK1CYP11B1CYP11B2CDK4CDK1
SCHEMBL7502157 0.82 CYP11B1 (0.51) CHEK1CYP11B1CYP11B2CDK4CDK1
SCHEMBL5922396 0.82 CHEK1 (0.53) CHEK1CYP11B1CYP11B2IDO1CDK4
SCHEMBL5922428 0.82 CHEK1 (0.53) CHEK1CYP11B1CYP11B2CDK4CDK1
SCHEMBL5922432 0.82 CHEK1 (0.53) CHEK1CYP11B1CYP11B2CDK4CDK1

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-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 US disclosed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 EP disclosed
US-20060058366-A1 Jnk inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1582211-A1 JNK INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-10-05 EP 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-20060281789-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K19 CHEK1 247/4885CYP11B1 2579/4885CYP11B2 2948/4885
US-20060058366-A1 Jnk inhibitor MAPK3, MAPK4, MAPKAPK3 CHEK1 1169/4885CYP11B1 905/4885CYP11B2 1189/4885

“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.