SCHEMBL12204196

SCHEMBL12204196

Nc1ncc(-c2cn[nH]c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 5/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ CHEK1 O14757 3/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ ALOX5AP P20292 3/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ MAP4K4 O95819 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38

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
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL12203913 0.77 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL26953475 0.77 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL12204174 0.77 AKT2 (0.50) AKT2AKT1FEN1CHEK1CHEK2
Hydrochloric Acid SCHEMBL28973063 0.77 AKT2 (0.67) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL4859450 0.77 MAP4K4 (0.56) FEN1ALOX5APMAP4K4PIK3CAPIK3CG
SCHEMBL18291404 0.77 PIK3CD (0.52) AKT2AKT1FEN1CHEK1CHEK2
SCHEMBL6196346 0.75 — —
SCHEMBL30725521 0.74 DHFR (0.47) AKT2AKT1FEN1LRRK2PDPK1
SCHEMBL29638874 0.73 AKT2 (0.56) AKT2AKT1CHEK1CHEK2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076290-A1 5-6-5/6-BISARYL COMPOUNDS AS FLT3 INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2025-04-10 — — WO disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 — — US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 — — US disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 — — US disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 — — EP disclosed
WO-2018086546-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE 浙江大学 2018-05-17 — — WO disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 — — EP 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 (3 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-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 AKT2 710/4885AKT1 821/4885FEN1 402/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 AKT2 710/4885AKT1 821/4885FEN1 402/4885
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 AKT2 710/4885AKT1 821/4885FEN1 402/4885

“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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