SCHEMBL3242050

SCHEMBL3242050

O=c1[nH]c(S)nc2c1ccc1[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.39
▸ PARP1 P09874 8/20 0.38
▸ GSK3B P49841 2/20 0.36
▸ TYMP P19971 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL7014736 0.74 DYRK1A (0.62) DYRK1APARP1GSK3BTYMPBACE1
SCHEMBL3240377 0.74 KDM4C (0.48) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL30533145 0.74 KDM4C (0.48) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL27725649 0.71 PARP1 (0.49) DYRK1APARP1GSK3BALDH1A1CHEK1
SCHEMBL15434547 0.71 DYRK1A (0.41) DYRK1APARP1GSK3BBACE1ALDH1A1
SCHEMBL9671521 0.67 PARP1 (0.70) PARP1
SCHEMBL3238795 0.66 GSK3B (0.53) DYRK1APARP1GSK3BTYMPBACE1
SCHEMBL5652631 0.65 PARP1 (0.48) DYRK1APARP1GSK3BTYMPBACE1
SCHEMBL29258934 0.65 DHFR (0.45) —
SCHEMBL30533135 0.65 AHR (0.36) PARP1JUNNFKB1NFKB2RELA

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 DYRK1A 453/4885PARP1 717/4885GSK3B 2541/4885

“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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