SCHEMBL19995345

SCHEMBL19995345

O=c1[nH]c(-c2ccncc2)nc(N2CCC(F)(F)CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39
GRIA4 P48058 3/20 0.39
MAPK13 O15264 7/20 0.37
MAPK12 P53778 7/20 0.37
MAPK11 Q15759 7/20 0.37
MAPK14 Q16539 7/20 0.37
GCGR P47871 5/20 0.37
RHEB Q15382 2/20 0.36
GSK3B P49841 2/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
FRK P42685 1/20 0.35

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
SCHEMBL19995736 0.87 MAPT (0.43) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011868 0.87 PDE9A (0.41) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011985 0.86 GRIA1 (0.37) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012119 0.86 MAPT (0.43) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012007 0.86 MAPT (0.43) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011905 0.85 ROCK2 (0.45) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012411 0.84 ALOX5 (0.46) HPGDALDH1A1MAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL19995676 0.84 ROCK2 (0.44) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL19995622 0.84 GRIA1 (0.43) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011881 0.84 HPGD (0.41) HPGDALDH1A1MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036006-B Preparation and use of pyrimidinone derivatives 癌症研究科技有限公司 2022-12-13 CN claimed
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
EP-3515903-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES Cancer Research Technology Limited (GB) 2019-07-31 EP claimed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO claimed
CN-110036006-B Preparation and use of pyrimidinone derivatives 癌症研究科技有限公司 2022-12-13 CN disclosed
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
EP-3515903-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES Cancer Research Technology Limited (GB) 2019-07-31 EP disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO 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 HPGD 1421/4885ALDH1A1 2811/4885MAPT 3718/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 HPGD 1399/4885ALDH1A1 2812/4885MAPT 3705/4885

“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.