Sugi Predict

Sugi Predict / Compounds / SCHEMBL6370524

SCHEMBL6370524

SCHEMBL6370524

C[C@H](Nc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br)[C@@H](O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.57
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL6370521 1.00 MAPK14 (0.57) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6371737 1.00 MAPK14 (0.57) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6377993 1.00 MAPK14 (0.57) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6389464 0.87 MAPK14 (0.61) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6389456 0.87 MAPK14 (0.61) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6371391 0.87 MAPK14 (0.61) MAPK14NPBWR1MCHR1CYP2C9CYP1A2
SCHEMBL6369775 0.83 MAPK14 (0.59) MAPK14CYP2C9CYP1A2HTTRAB9A
SCHEMBL6376898 0.82 MAPK14 (0.61) MAPK14CYP2C9CYP1A2HTTRAB9A
SCHEMBL6232216 0.76 MAPK14 (0.65) MAPK14CYP2C9CYP1A2RAB9ASMN1; SMN2
SCHEMBL6370457 0.73 MAPK14 (0.61) MAPK14CYP2C9CYP1A2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — US claimed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — US disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — 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 (3 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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 29/4885NPBWR1 2719/4885MCHR1 4315/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885NPBWR1 2879/4885MCHR1 4425/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885NPBWR1 2879/4885MCHR1 4425/4885

“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.