SCHEMBL21460575

SCHEMBL21460575

CNc1nc(Cl)nc(-c2ccco2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ PTPN7 P35236 4/20 0.46
▸ RECQL P46063 4/20 0.46
▸ BLM P54132 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL21460544 0.86 KDM4E (0.47) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL15084267 0.73 KDM4E (0.46) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL15064902 0.71 MAPT (0.47) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL21704503 0.71 HSP90AA1 (0.57) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL11836181 0.70 ADORA2A (0.52) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL929525 0.69 ADORA2A (0.56) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL14002317 0.69 ADORA2A (0.46) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL15065223 0.69 MAPT (0.44) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL3682872 0.67 MAPT (0.42) TDP1KDM4EALDH1A1HPGDMEN1
SCHEMBL13668446 0.67 ADORA2A (0.69) TDP1KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-06-16 — — US disclosed
WO-2019198940-A1 EXCELLENT KINASE INHIBITORY ACTIVITY-EXHIBITING PYRIMIDINE DERIVATIVE HAVING VARIOUS SUBSTITUENTS 한국과학기술연구원 2019-10-17 — — WO disclosed
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-17 — — US 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-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities JAK1, NUAK1, JAK2 TDP1 461/4885KDM4E 3422/4885ALDH1A1 4059/4885
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES JAK1, NUAK1, JAK2 TDP1 461/4885KDM4E 3422/4885ALDH1A1 4059/4885

“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.

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