Sugi Predict

Sugi Predict / Compounds / SCHEMBL10079650

SCHEMBL10079650

SCHEMBL10079650

NCc1nc2ncc(Br)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ HPGD P15428 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL4060448 0.76 ALDH1A1 (0.58) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4051158 0.75 ALDH1A1 (0.57) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4054292 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL166217 0.74 NOS3 (0.55) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4053960 0.74 SMN1; SMN2 (0.75) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4052526 0.74 HPGD (0.63) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4057753 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4049425 0.73 HPGD (0.62) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4059137 0.73 NOS3 (0.48) SMN1; SMN2NPSR1LMNARXFP1HTT
SCHEMBL4053617 0.73 NOS3 (0.57) SMN1; SMN2NPSR1LMNARXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300485-B1 PYRROLO-[2, 3-C]-PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2012-01-18 — — EP disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 — — US disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 — — US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 — — US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 — — US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 — — US disclosed
WO-2009152072-A1 PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2009-12-17 — — 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-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 SMN1; SMN2 3365/4885NPSR1 1291/4885LMNA 4201/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 SMN1; SMN2 3521/4885NPSR1 1050/4885LMNA 4324/4885

“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.