SCHEMBL3238795

SCHEMBL3238795

O=c1[nH]c(=O)c2ccc3[nH]ccc3c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
TYMP P19971 1/20 0.53
BACE1 P56817 1/20 0.53
KDM4E B2RXH2 5/20 0.41
PARP1 P09874 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
DYRK1A Q13627 2/20 0.37
GLA P06280 2/20 0.37
CYP3A4 P08684 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3242045 0.82 ALDH1A1 (0.39) GSK3BTYMPBACE1KDM4EPARP1
SCHEMBL14697181 0.70 TYMP (0.49) GSK3BTYMPBACE1DYRK1AGDA
SCHEMBL5652631 0.70 PARP1 (0.48) GSK3BTYMPBACE1KDM4EPARP1
7-Deazaxanthine SCHEMBL1460298 0.70 TYMP (1.00) GSK3BTYMPBACE1KDM4EPARP1
SCHEMBL30577482 0.69 PARP1 (0.61) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL13738861 0.69 PARP1 (0.61) KDM4EPARP1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL14697453 0.69 TYMP (0.47) GSK3BTYMPBACE1DYRK1AGDA
SCHEMBL4146416 0.68 PDE3B (0.44) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL3472897 0.68 KIF11 (0.53) TYMPKDM4EPARP1CA12CA9
SCHEMBL4487862 0.68 KIF11 (0.58) KDM4EALDH1A1HPGDHSD17B10DYRK1A

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 9 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
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US disclosed
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US disclosed
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US disclosed
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 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 (2 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 GSK3B 2541/4885TYMP 1202/4885BACE1 4084/4885
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS MTOR, RICTOR, RPS6KA3 GSK3B 403/4885TYMP 2374/4885BACE1 3439/4885

“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.