SCHEMBL3969461

SCHEMBL3969461

Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(-c4ccccc4Cl)n[nH]c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SGK1 O00141 3/20 0.47
▸ GAA P10253 2/20 0.45
▸ G6PD P11413 1/20 0.45
▸ MAP2K4 P45985 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ITK Q08881 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 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
SCHEMBL3964290 0.92 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3964176 0.91 SGK1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3968048 0.90 MAP2K4 (0.53) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL3969192 0.89 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL3969942 0.87 MAP2K4 (0.54) ALDH1A1LMNAMAPTSGK1MAP2K4
SCHEMBL3962444 0.86 SGK1 (0.61) MEN1KMT2ASGK1MAP2K4
SCHEMBL3966277 0.86 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3966336 0.86 SGK1 (0.51) MEN1KMT2ASGK1MAP2K4
SCHEMBL3967750 0.85 MAP2K4 (0.56) MEN1KMT2AMAP2K4ITK
SCHEMBL3973325 0.85 MAP2K4 (0.51) MEN1KMT2ALMNAMAPTMAP2K4

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
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
CN-101243051-A P38 MAP kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 MEN1 2974/4885KMT2A 3163/4885ALDH1A1 2411/4885

“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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