SCHEMBL20011964

SCHEMBL20011964

O=c1[nH]c(-c2ccncc2)nc(C2CCOCC2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
WNT3A P56704 5/20 0.41
TNKS2 Q9H2K2 5/20 0.41
GRIA1 P42261 3/20 0.40
GRIA2 P42262 3/20 0.40
GRIA3 P42263 3/20 0.40
GRIA4 P48058 3/20 0.40
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
CXCR2 P25025 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL20012409 0.85 HPGD (0.41) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL19996050 0.85 HPGD (0.41) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012418 0.85 HPGD (0.41) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012186 0.85 HPGD (0.41) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012277 0.81 ALDH1A1 (0.43) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20012245 0.81 TNKS2 (0.44) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011826 0.78 WNT3A (0.39) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20011967 0.74 GSK3B (0.51) HPGDALDH1A1MAPTALOX15HSD17B10
SCHEMBL20138961 0.72 DAO (0.32) CXCR2PDE9A
SCHEMBL19995232 0.71 GRIA1 (0.40) 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 10 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
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
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
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.