SCHEMBL21820855

SCHEMBL21820855

Cc1cnc2c(I)c[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
BRD4 O60885 2/20 0.37
CHEK1 O14757 1/20 0.34
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PIM1 P11309 1/20 0.30
HASPIN Q8TF76 1/20 0.30

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
SCHEMBL14616216 0.85 MAPK1 (0.62) MAPK1BRD4CHEK1SYKPIM1
SCHEMBL24284139 0.80 CCNB2 (0.34) MAPK1SYKKDM4EGAACCNB2
SCHEMBL31229864 0.77 MAPK1 (0.49) MAPK1BRD4CHEK1
SCHEMBL17005371 0.77 MAPK1 (0.49) MAPK1BRD4CHEK1
SCHEMBL24283772 0.69 KDM4E (0.33) KDM4EGAACCNB2CDK1CCNB1
SCHEMBL10072161 0.69 MAPK1 (0.56) MAPK1CHEK1CCNB2CDK1CCNB1
SCHEMBL7950769 0.68 MAPK1 (0.39) MAPK1SYK
SCHEMBL12657766 0.68 MAPK1 (0.67) MAPK1BRD4CHEK1
SCHEMBL19152997 0.68 KDM4E (0.38) KDM4EGAACCNB2CDK1CCNB1
SCHEMBL19152810 0.67 ADORA2A (0.54) MAPK1KDM4EGAACCNB2CDK1

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
EP-3555095-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-27 US disclosed
CN-108218873-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-07-07 CN disclosed
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-03-19 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 (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-10987354-B2 Inhibitors of influenza virus replication and uses thereof ZC3HAV1, MAVS, POLRMT MAPK1 2020/4885BRD4 1110/4885CHEK1 1527/4885
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF ZC3HAV1, MAVS, POLRMT MAPK1 2020/4885BRD4 1110/4885CHEK1 1527/4885

“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.