SCHEMBL19208017

SCHEMBL19208017

COc1cc(Cl)cc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.81
KCNH2 Q12809 15/20 0.81
NUAK1 O60285 1/20 0.80
CHEK2 O96017 1/20 0.80
RPS6KB1 P23443 1/20 0.80
FLT3 P36888 1/20 0.80
BLK P51451 1/20 0.80
PRKAG1 P54619 1/20 0.80
PRKAA1 Q13131 1/20 0.80
PRKAB1 Q9Y478 1/20 0.80

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
SCHEMBL23327317 0.93 CHEK1 (0.81) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208028 0.93 CHEK1 (0.81) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208011 0.92 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208012 0.92 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL30675397 0.92 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208010 0.90 CHEK1 (0.82) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632362 0.90 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936243 0.90 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Prexasertib SCHEMBL30517001 0.89 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Prexasertib SCHEMBL30528862 0.89 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP claimed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US claimed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 US claimed
EP-3411036-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS Pharmaengine, Inc. (TW) 2018-12-12 EP claimed
WO-2017132928-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (CN) 2017-08-10 WO claimed
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP disclosed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US disclosed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 US disclosed
EP-3411036-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS Pharmaengine, Inc. (TW) 2018-12-12 EP disclosed
WO-2017132928-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (CN) 2017-08-10 WO 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 (2 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-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS CHEK1, CHEK2, BUB1 CHEK1 1/4885KCNH2 2305/4885NUAK1 137/4885
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications CHEK1, CHEK2, BUB1 CHEK1 1/4885KCNH2 2305/4885NUAK1 137/4885

“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.