SCHEMBL22284152

SCHEMBL22284152

Nc1cc2c(N3CCOCC3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
NCF1 P14598 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CSF1R P07333 1/20 0.39
POLB P06746 1/20 0.38
MAT2A P31153 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
PTK2 Q05397 1/20 0.36

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
SCHEMBL22284171 0.81 CYP1A2 (0.46) KDM4EALDH1A1HPGDMAPK1MEN1
SCHEMBL16965594 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16213579 0.77 MAPK1 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL28335693 0.75 PKM (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL20920118 0.73 MAPK1 (0.32) MAPK1
SCHEMBL22284233 0.72 PIK3CA (0.39) KDM4EALDH1A1HPGDMAPK1MEN1
SCHEMBL16964616 0.71 GAA (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19100714 0.71 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL3155654 0.71 MAOB (0.34) MAPK1
SCHEMBL20395773 0.71 RORC (0.36) KDM4EALDH1A1HPGDHSD17B10GAA

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 KDM4E 3782/4885ALDH1A1 1717/4885HPGD 191/4885

“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.