SCHEMBL29663136

SCHEMBL29663136

O=c1[nH]cnn2c(-c3cn[nH]c3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.42
CHEK1 O14757 10/20 0.40
CHEK2 O96017 4/20 0.40
PDPK1 O15530 1/20 0.40
ABL1 P00519 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.38
LCK P06239 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KDR P35968 2/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
TGFBR2 P37173 1/20 0.34
BMPR2 Q13873 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
AURKA O14965 3/20 0.34
AURKB Q96GD4 2/20 0.34
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL29921696 0.72 MAPKAPK5 (0.46) CHEK1CHEK2ABL1MAPKAPK5LCK
SCHEMBL22547338 0.69 ALDH1A1 (0.39) CHEK1AKT1ALDH1A1
SCHEMBL22349704 0.66 ALDH1A1 (0.39) PDPK1ALDH1A1
SCHEMBL22326777 0.66 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22399904 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL31403778 0.64 MKNK1 (0.62) CHEK1CHEK2ABL1AKT1AKT2
SCHEMBL20985768 0.63 ROCK2 (0.50) ACVR1AKT1AKT2
SCHEMBL31399397 0.63 ACVR1 (0.49) ACVR1PDPK1AKT1AKT2ALDH1A1
SCHEMBL22399282 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL31403809 0.61 MKNK1 (0.61) CHEK1CHEK2ABL1AKT1AKT2

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-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-15 US disclosed
EP-3999183-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF Ono Pharmaceutical Co., Ltd. (JP) 2022-05-25 EP 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-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF KDM5A, KDM1B, KDM5D ACVR1 3913/4885CHEK1 2253/4885CHEK2 1250/4885

“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.