SCHEMBL4519523

SCHEMBL4519523

O=c1[nH]cc(CSc2ncccn2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ PARP1 P09874 3/20 0.40
▸ PARP2 Q9UGN5 3/20 0.40
▸ PARP14 Q460N5 2/20 0.40
▸ PARP11 Q9NR21 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP4 Q9UKK3 3/20 0.39
▸ PARP10 Q53GL7 1/20 0.39

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
SCHEMBL4346481 0.75 DPYD (0.45) —
SCHEMBL4344338 0.75 DPYD (0.45) —
SCHEMBL10797975 0.75 DPYD (0.46) —
SCHEMBL4353311 0.72 DPYD (0.50) —
SCHEMBL4495952 0.72 ATAD2 (0.47) —
SCHEMBL6101593 0.70 GAA (0.42) —
SCHEMBL4566130 0.70 DAO (0.43) —
SCHEMBL4356407 0.69 ATAD2 (0.44) —
SCHEMBL5800398 0.68 — —
SCHEMBL4915160 0.68 DPYD (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 — — EP claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — US claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 — — WO claimed
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 — — EP disclosed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — US disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 — — 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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST KMT2A 4438/4885PARP1 4615/4885PARP2 4644/4885

“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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