SCHEMBL8358807

SCHEMBL8358807

O=C(Cl)c1ccc(CCl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.42
▸ P4HA1 P13674 2/20 0.36
▸ P4HTM Q9NXG6 2/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MIF P14174 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 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
Hydrochloric Acid SCHEMBL2772493 0.98 NAPRT (0.41) NAPRTP4HA1P4HTMCA1CA2
SCHEMBL12639886 0.84 KCNJ1 (0.44) NAPRTP4HA1P4HTML3MBTL1ALDH1A1
SCHEMBL1256581 0.84 NAPRT (0.57) NAPRTP4HA1P4HTMMIFL3MBTL1
SCHEMBL4121736 0.82 NAPRT (0.41) NAPRTP4HA1P4HTML3MBTL1SMN1; SMN2
SCHEMBL9786932 0.82 NNMT (0.55) L3MBTL1SMN1; SMN2GABRA5NNMT
SCHEMBL23387618 0.78 KMT2A (0.46) SMN1; SMN2ALDH1A1HCAR3CYP1A2HPGD
SCHEMBL198840 0.78 MAPK1 (0.59) CA1CA2L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL691856 0.77 NPC1 (0.43) NAPRTL3MBTL1HDAC6SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL22390127 0.77 MAPK1 (0.57) CA1CA2L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9529349 0.75 CA12 (0.50) CA1CA2L3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 — — EP disclosed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 — — 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 NAPRT 3522/4885P4HA1 3090/4885P4HTM 2918/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 NAPRT 3522/4885P4HA1 3090/4885P4HTM 2918/4885

“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.

Send feedback