Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345756

SCHEMBL3345756

SCHEMBL3345756

CCOc1cccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2C(=O)NCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.48
▸ MAPK11 Q15759 5/20 0.45
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ DHODH Q02127 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3349382 0.93 MAPK14 (0.55) MAPK14MAPK11MAPTHPGDTP53
SCHEMBL3347281 0.93 MAPT (0.49) MAPK14MAPK11MAPTTP53RAB9A
SCHEMBL3316353 0.92 MAPK14 (0.46) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3349897 0.92 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3345904 0.91 MAPK14 (0.50) MAPK14MAPK11MAPTHPGDTP53
SCHEMBL27635999 0.90 MAPK14 (0.50) MAPK14MAPK11MAPTHPGDTP53
SCHEMBL3346382 0.90 MAPK14 (0.49) MAPK14MAPK11MAPTHPGDTP53
SCHEMBL3317125 0.90 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3815544 0.89 MAPK14 (0.43) MAPK14MAPK11MAPTHPGDTP53
SCHEMBL3602028 0.89 MAPK14 (0.48) MAPK14MAPK11MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 — — US claimed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 — — US claimed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 — — EP claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 — — US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 — — US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 — — US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 — — US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 — — US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 — — US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 — — EP 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 MAPK14 21/4885MAPK11 38/4885MAPT 725/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885MAPK11 41/4885MAPT 817/4885

“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.