SCHEMBL22606154

SCHEMBL22606154

c1ccc(Nc2nc(-c3ccccc3)nc3[nH]cnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PDE5A O76074 5/20 0.51
▸ TGFBR1 P36897 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ LATS1 O95835 1/20 0.42
▸ ABCC1 P33527 1/20 0.42

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
SCHEMBL16147547 0.83 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL459413 0.81 IGF1R (0.51) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL23581559 0.81 ADORA3 (0.57) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL16146233 0.80 CDK1 (0.49) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL11015319 0.80 CYP3A4 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL16146716 0.80 IGF1R (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL16146743 0.80 CDK2 (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5355400 0.80 CHUK (0.50) MAPT
SCHEMBL30162764 0.80 CHUK (0.50) MAPT
SCHEMBL3001378 0.80 NFKB1 (0.46) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220204509-A1 PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR IDH2, IDH1, IDH3A ABCG2 901/4885MEN1 1303/4885KMT2A 373/4885

“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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