SCHEMBL22284337

SCHEMBL22284337

CC(CN1CCOCC1)NC(=O)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAPK1 P28482 1/20 0.41
CHEK1 O14757 2/20 0.39
CDK7 P50613 2/20 0.39
FLT3 P36888 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
ROCK2 O75116 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL20931722 1.00 HDAC4 (0.41) HDAC4HDAC6MAPK1CHEK1CDK7
SCHEMBL22299515 0.81 MAPK1 (0.43) MAPK1
SCHEMBL20931539 0.81 MAPK1 (0.47) MAPK1
SCHEMBL20931540 0.81 MAPK1 (0.47) MAPK1
SCHEMBL20931542 0.80 MAPK1 (0.38) MAPK1
SCHEMBL22284212 0.80 MAPK1 (0.38) MAPK1
SCHEMBL22298984 0.80 MAPK1 (0.36) MAPK1KIT
SCHEMBL28333328 0.80 MAPK1 (0.49) MAPK1DYRK1A
SCHEMBL22497617 0.80 MAPK1 (0.49) MAPK1DYRK1A
SCHEMBL20932202 0.79 MAPK1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110546150-B Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-21 CN disclosed
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
CN-110546150-A Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD 2019-12-06 CN 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 HDAC4 694/4885HDAC6 1797/4885MAPK1 1/4885

“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.