SCHEMBL183230

SCHEMBL183230

Cn1cnc2c(Nc3ccccc3)nc(Cl)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.66
YTHDC1 Q96MU7 2/20 0.64
CDK5 Q00535 3/20 0.54
CDK5R1 Q15078 3/20 0.54
CDK2 P24941 3/20 0.54
CCNA2 P20248 2/20 0.54
CCNA1 P78396 2/20 0.54
DYRK1A Q13627 2/20 0.54
ADORA3 P0DMS8 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
KCNN2 Q9H2S1 1/20 0.51
KCNN3 Q9UGI6 1/20 0.51

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
SCHEMBL183098 0.89 YTHDC1 (0.64) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL183231 0.87 CDK2 (0.70) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL183282 0.86 YTHDC1 (0.61) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL183397 0.86 YTHDC1 (0.61) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL17628619 0.83 YTHDC1 (0.57) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL183294 0.83 YTHDC1 (0.57) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL183272 0.83 YTHDC1 (0.57) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL19500157 0.83 YTHDC1 (0.57) CDK1YTHDC1CDK5CDK5R1CDK2
SCHEMBL5827777 0.82 CDK5 (0.79) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL183642 0.82 YTHDC1 (0.59) CDK1YTHDC1CDK5CDK5R1CDK2

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127063-B Pyrimidine five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor 上海仕谱生物科技有限公司 2023-12-01 CN disclosed
US-20220204509-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-06-30 US disclosed
US-20220204509-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-06-30 US disclosed
EP-3967691-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-16 EP disclosed
EP-3967691-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-16 EP disclosed
CN-114127063-A Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor 上海仕谱生物科技有限公司 2022-03-01 CN disclosed
WO-2020215998-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 WO disclosed
WO-2020215998-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 WO disclosed
CN-111825674-A Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor 上海仕谱生物科技有限公司 2020-10-27 CN disclosed
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
CN-101646669-A Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS DK 2010-02-10 CN disclosed
EP-2142546-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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 (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-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CDK1 4042/4885YTHDC1 3259/4885CDK5 1521/4885
US-20220204509-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR IDH2, IDH1, IDH3A CDK1 1188/4885YTHDC1 3211/4885CDK5 100/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885YTHDC1 3460/4885CDK5 1601/4885

“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.