SCHEMBL22299519

SCHEMBL22299519

Cc1cccc(CC(=O)c2nc3cc4c(-c5ccncc5)n[nH]c4cc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.40
MAPK3 P27361 4/20 0.40
MAP2K4 P45985 4/20 0.40
CHEK1 O14757 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
MAOB P27338 1/20 0.38
IDO1 P14902 1/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
MAPK14 Q16539 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL20917257 0.89 MAPK1 (0.48) MAPK1MAPK3CHEK1
SCHEMBL22299697 0.88 MAPK1 (0.52) MAPK1MAPK3MAOBROCK2
SCHEMBL22298990 0.85 MAPK1 (0.41) MAPK1MAPK3CHEK1
SCHEMBL22299502 0.85 MAPK1 (0.48) MAPK1MAPK3CHEK1IDO1
SCHEMBL22299698 0.84 MAPK1 (0.44) MAPK1MAPK3CHEK1
SCHEMBL22299695 0.83 NTRK1 (0.50) MAPK1MAPK3MAP2K4CHEK1CDK2
SCHEMBL22299494 0.81 MAPK1 (0.45) MAPK1CYP3A4
SCHEMBL22299696 0.81 MAPK1 (0.44) MAPK1MAPK3
SCHEMBL20931719 0.80 MAPK1 (0.56) MAPK1
SCHEMBL22369392 0.79 CHEK1 (0.41) MAPK1MAPK3MAP2K4CHEK1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 1/4885MAPK3 14/4885MAP2K4 65/4885

“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.