SCHEMBL20980339

SCHEMBL20980339

CSc1ncc2cc(C(=O)NN)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ AHR P35869 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL24752309 0.85 MEN1 (0.39) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL29763764 0.84 MEN1 (0.46) KDM4EALDH1A1KMT2AMEN1THRB
SCHEMBL24752128 0.84 MEN1 (0.46) KDM4EALDH1A1KMT2AMEN1THRB
SCHEMBL28514657 0.83 MEN1 (0.35) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL24752055 0.81 ABL1 (0.42) KDM4EMAPK1
SCHEMBL30853010 0.81 ABL1 (0.42) KDM4EMAPK1
SCHEMBL28705638 0.80 FGFR1 (0.40) KMT2AMEN1NTRK1
SCHEMBL24669277 0.71 HTT (0.38) ALDH1A1KMT2AMEN1THRBMAPT
SCHEMBL10323760 0.71 KDM6B (0.50) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL5458537 0.71 NPC1 (0.45) ALDH1A1GAAKMT2AMEN1THRB

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-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 — — US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 — — US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 — — 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 (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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD KDM4E 2045/4885ALDH1A1 1403/4885GAA 1180/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD KDM4E 2045/4885ALDH1A1 1403/4885GAA 1180/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA KDM4E 1307/4885ALDH1A1 574/4885GAA 1316/4885

“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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