SCHEMBL797425

SCHEMBL797425

COC(=O)c1cccc(Nc2nc(N)nc(Cl)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 8/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ABL1 P00519 1/20 0.50
▸ BCR P11274 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL17220393 0.95 ROCK1 (0.54) ROCK1LMNATP53TSHRMAPK1
SCHEMBL2124418 0.91 NFKB1 (0.57) ROCK1LMNATP53TSHRMAPK1
SCHEMBL30423082 0.82 RHOA (0.47) ROCK1LMNAMAPK1RAB9ANPC1
SCHEMBL17220267 0.82 ROCK1 (0.55) ROCK1LMNATP53TSHRMAPK1
SCHEMBL6479606 0.81 ABL1 (0.57) ROCK1LMNATP53TSHRMAPK1
SCHEMBL17220069 0.80 ROCK1 (0.53) ROCK1LMNATP53TSHRMAPK1
SCHEMBL17220067 0.80 ROCK1 (0.53) ROCK1LMNATP53TSHRMAPK1
SCHEMBL15918808 0.78 PPIA (0.50) ROCK1LMNATP53TSHRMAPK1
SCHEMBL4544820 0.78 KDM4E (0.60) ROCK1LMNATP53TSHRMAPK1
SCHEMBL17323139 0.77 NFKB1 (0.79) LMNATP53MAPK1RAB9ANPC1

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
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 — — US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 — — US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 — — US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 — — EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 — — CN disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 — — 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ROCK1 4181/4885LMNA 4798/4885TP53 4729/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ROCK1 4181/4885LMNA 4798/4885TP53 4729/4885

“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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