SCHEMBL6717272

SCHEMBL6717272

CCOC(=O)c1cnc2ccc(C#CCO)nc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NMT1 P30419 1/20 0.38

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
SCHEMBL4522272 0.85 NMT1 (0.44) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3373163 0.80 DYRK1A (0.47) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29810202 0.78 DYRK1A (0.50) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7920183 0.78 MAPK1 (0.46) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29810196 0.78 MAPK1 (0.46) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6286366 0.78 DYRK1A (0.50) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8327180 0.78 DYRK1A (0.45) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8326859 0.78 DYRK1A (0.45) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3786466 0.78 TSHR (0.46) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29810205 0.78 DYRK1A (0.50) DYRK1AMAPK1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 — — US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 — — US disclosed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 — — EP disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 — — US disclosed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 — — 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-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 DYRK1A 4743/4885MAPK1 1827/4885ALDH1A1 779/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 DYRK1A 4743/4885MAPK1 1827/4885ALDH1A1 779/4885

“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