SCHEMBL5474613

SCHEMBL5474613

O=C(O)c1cc2ncncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ GPR35 Q9HC97 2/20 0.41
▸ SRD5A2 P31213 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL20505709 0.84 MAP2K1 (0.38) PDPK1
SCHEMBL29882491 0.84 MAP2K1 (0.38) PDPK1
SCHEMBL29882535 0.77 GABRA1 (0.40) —
SCHEMBL18322242 0.77 KDM4E (0.49) KDM4EHPGDHSD17B10MAPTALOX15
SCHEMBL4067573 0.75 GRIN1 (0.53) DAOKDM4EHPGDHSD17B10GPR35
SCHEMBL29882774 0.75 MMP2 (0.48) KDM4EHPGDHSD17B10SRD5A2MAPT
SCHEMBL24690029 0.74 DAO (0.44) DAOKDM4EHPGDHSD17B10GPR35
SCHEMBL17505244 0.74 DYRK1A (0.44) DAOKDM4EHPGDHSD17B10GPR35
SCHEMBL17505325 0.74 PIN1 (0.47) DAOKDM4EHPGDHSD17B10GPR35
SCHEMBL17505227 0.74 KDM4E (0.47) DAOKDM4EHPGDHSD17B10GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368114-A Pyrrolopyrimidine compounds as MNK inhibitor 生命弧度公司 2018-08-03 — — CN disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 — — US disclosed
CN-101056878-A Azaindole carboxamides SCHVARZ PHARMA AG (DE) 2007-10-17 — — CN disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A DAO 1009/4885KDM4E 2222/4885HPGD 1051/4885

“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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