SCHEMBL4865340

SCHEMBL4865340

Sc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ROCK2 O75116 7/20 0.45
GRK2 P25098 5/20 0.45
XDH P47989 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL657644 0.81 NR1H2 (0.61) LMNAMAPT
SCHEMBL7200528 0.78 NR1H2 (0.56) ROCK2GRK2
SCHEMBL4873033 0.77 SMN1; SMN2 (0.63) KDM4ELMNAMAPTIDO1
SCHEMBL11589319 0.77 NR1H2 (0.67) JAK2KDM4EL3MBTL1XDHABCG2
Hydrochloric Acid SCHEMBL11589087 0.75 NR1H2 (0.64) JAK2KDM4EL3MBTL1XDHABCG2
SCHEMBL29330535 0.75 HDAC3 (0.53) JAK2KDM4EL3MBTL1ROCK2GRK2
SCHEMBL2769054 0.75 JAK2 (0.49) JAK2KDM4EL3MBTL1ROCK2GRK2
SCHEMBL4868465 0.73 L3MBTL1 (0.39) KDM4EL3MBTL1MAPT
SCHEMBL2485799 0.73 XDH (0.49) KDM4EROCK2GRK2XDHLMNA
SCHEMBL9253965 0.72 NOTUM (0.45) ABCG2

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
WO-2009087218-A1 THIAZOLTRIAZOLES AND THIAZOLIMIDAZOLES AS ANTAGONISTS OF THE MGLUR5 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 JAK2 1362/4885KDM4E 2127/4885L3MBTL1 1656/4885

“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.