SCHEMBL12662422

SCHEMBL12662422

O=C(Nc1cccnn1)c1cncc2[nH]c(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ FAAH O00519 5/20 0.38
▸ CLK2 P49760 2/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ IDO1 P14902 4/20 0.35
▸ PTGES O14684 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ ABL2 P42684 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CLK3 P49761 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
SCHEMBL12662484 0.93 FAAH (0.39) PARP1FAAHCLK2HDAC3HDAC7
SCHEMBL12662057 0.89 PARP1 (0.48) PARP1FAAHCLK2DHODH
SCHEMBL12662390 0.89 PARP1 (0.50) PARP1CLK2HDAC3HDAC7HDAC10
SCHEMBL12662420 0.89 PARP1 (0.41) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662414 0.86 PARP1 (0.39) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662421 0.86 CLK2 (0.51) CLK2IDO1PTGESCSF1R
SCHEMBL12662067 0.82 PARP1 (0.48) PARP1FAAHCLK2DHODHCSF1R
SCHEMBL12662404 0.81 FAAH (0.40) FAAHPTGES
SCHEMBL12662479 0.81 PARP1 (0.41) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662417 0.81 MGAM (0.40) —

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-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 287/4885FAAH 2426/4885CLK2 381/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885FAAH 1840/4885CLK2 309/4885

“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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