SCHEMBL20011900

SCHEMBL20011900

O=c1[nH]c(-c2ccnc(F)c2)nc(N2CCNCC2C(F)F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
ITGA2B P08514 1/20 0.33
HTR2C P28335 8/20 0.33
HTR2A P28223 5/20 0.33
HTR2B P41595 4/20 0.33
GSK3B P49841 2/20 0.32
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL30060743 1.00 KCNH2 (0.36) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL19995394 1.00 KCNH2 (0.36) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL21853819 1.00 KCNH2 (0.36) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL22551027 0.87 GSK3B (0.38) HTR2CHTR2AHTR2BGSK3BIDO1
SCHEMBL21853840 0.87 GSK3B (0.38) HTR2CHTR2AHTR2BGSK3BIDO1
SCHEMBL19995187 0.86 GSK3B (0.42) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL19995271 0.86 GSK3B (0.42) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL19995211 0.86 GSK3B (0.42) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL22551022 0.85 KCNH2 (0.36) KCNH2ITGA2BHTR2CHTR2AHTR2B
SCHEMBL19995209 0.85 KCNH2 (0.36) KCNH2ITGA2BHTR2CHTR2AHTR2B

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
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US claimed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP claimed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US claimed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US disclosed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US disclosed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US disclosed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 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-10919896-B2 Preparation and uses of pyrimidinone derivatives CDC7, CDK7, CDK17 KCNH2 3921/4885ITGA2B 4453/4885HTR2C 4657/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 KCNH2 3923/4885ITGA2B 4484/4885HTR2C 4650/4885

“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.