SCHEMBL22299598

SCHEMBL22299598

CCOC(=O)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
MMP13 P45452 3/20 0.47
MMP2 P08253 2/20 0.47
MMP14 P50281 2/20 0.47
ALOX5 P09917 1/20 0.44
IMPDH2 P12268 1/20 0.43
CDC7 O00311 5/20 0.43
DBF4 Q9UBU7 5/20 0.43
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
GCGR P47871 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
SCHEMBL30554310 0.87 MAP2K4 (0.46) PKN1PKN2ALOX5HPGDSMAPK1
SCHEMBL20931536 0.87 MAP2K4 (0.46) PKN1PKN2ALOX5HPGDSMAPK1
SCHEMBL22299597 0.85 MAPK1 (0.42) PKN1PKN2MMP13MMP2MMP14
SCHEMBL20931716 0.85 MAPK1 (0.46) MAPK1GCGR
SCHEMBL22369392 0.83 CHEK1 (0.41) PKN1PKN2KDM4EMAPK1
SCHEMBL28333310 0.82 PIN1 (0.46) MAPK1
SCHEMBL22299599 0.81 MAPK1 (0.50) MMP2ALOX5MAPK1GCGR
SCHEMBL20932223 0.79 MAPK1 (0.43) MAPK1
SCHEMBL20932234 0.79 MAPK1 (0.43) MAPK1
SCHEMBL22299699 0.77 MAPK1 (0.39) MAPK1

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
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 PKN1 598/4885PKN2 475/4885MMP13 200/4885

“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.