SCHEMBL26352005

SCHEMBL26352005

CC(C)c1ccnc2[nH]c(-c3cnn(C)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.54
▸ AURKB Q96GD4 5/20 0.54
▸ INCENP Q9NQS7 5/20 0.54
▸ TPX2 Q9ULW0 5/20 0.54
▸ MAPT P10636 1/20 0.47
▸ TBK1 Q9UHD2 1/20 0.45
▸ KIT P10721 6/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL25941068 0.83 AURKA (0.57) AURKAAURKBINCENPTPX2MAPT
SCHEMBL20927803 0.82 AURKA (0.56) AURKAAURKBINCENPTPX2MAPT
SCHEMBL24615534 0.82 AURKA (0.56) AURKAAURKBINCENPTPX2MAPT
SCHEMBL30559880 0.76 PIM1 (0.51) AURKAAURKBINCENPTPX2MAPT
Hydrochloric Acid SCHEMBL20919997 0.75 PIM1 (0.50) AURKAAURKBINCENPTPX2MAPT
SCHEMBL20927905 0.74 KIT (0.53) AURKAAURKBINCENPTPX2KIT
SCHEMBL1778217 0.74 CCNB2 (0.54) AURKAAURKBINCENPTPX2
SCHEMBL24615541 0.73 AURKA (0.48) AURKAAURKBINCENPTPX2MAPT
SCHEMBL28904590 0.72 KIT (0.48) AURKAAURKBINCENPTPX2KIT
Hydrochloric Acid SCHEMBL29772761 0.72 AURKA (0.47) AURKAAURKBINCENPTPX2MAPT

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
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 AURKA 2056/4885AURKB 1710/4885INCENP 2333/4885

“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.

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