SCHEMBL3242045

SCHEMBL3242045

O=c1[nH]c(=S)[nH]c2c1ccc1[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
BRPF1 P55201 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 2/20 0.38
TYMP P19971 1/20 0.38
BACE1 P56817 1/20 0.38
PARP1 P09874 1/20 0.38
TP53 P04637 2/20 0.37
HPGD P15428 3/20 0.35

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
SCHEMBL3238795 0.82 GSK3B (0.53) ALDH1A1KDM4EKMT2AGSK3BTYMP
SCHEMBL19731398 0.72 TYMP (0.64) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL3127877 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL30954248 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL5652631 0.67 PARP1 (0.48) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL13738861 0.67 PARP1 (0.61) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL30577482 0.67 PARP1 (0.61) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL4146416 0.66 PDE3B (0.44) ALDH1A1KDM4EKMT2APARP1TP53
SCHEMBL4487862 0.66 KIF11 (0.58) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL30577754 0.66 METAP2 (0.49) ALDH1A1KDM4EKMT2AGSK3BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US claimed
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 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 (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-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE NQO2, QDPR, DHPS ALDH1A1 1113/4885KDM4E 1260/4885KMT2A 1504/4885

“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.