SCHEMBL3636036

SCHEMBL3636036

Cc1nc2c(C(=O)NCc3ccc(F)c(Cl)c3)cccn2c1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
GUCY1B2 O75343 8/20 0.40
GUCY1A2 P33402 8/20 0.40
GUCY1A1 Q02108 8/20 0.40
GUCY1B1 Q02153 8/20 0.40
MT-CO2 P00403 1/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PIK3CA P42336 1/20 0.39
PTGER4 P35408 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PDPK1 O15530 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8191852 0.84 SMN1; SMN2 (0.38) TP53GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3603947 0.74 SMN1; SMN2 (0.51) TP53GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19723614 0.72 SMN1; SMN2 (0.50) CNR2SMN1; SMN2LMNAKDM4EPKM
SCHEMBL8190361 0.70 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2A
SCHEMBL13035341 0.70 PTGES (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MT-CO2
SCHEMBL19723641 0.68 SMN1; SMN2 (0.54) SMN1; SMN2LMNAKDM4EPKMHTT
SCHEMBL8255680 0.68 MMP13 (0.41) CNR2PPARG
SCHEMBL16448026 0.68 CHRM4 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL12295298 0.67 LMNA (0.54) TP53SMN1; SMN2LMNAKDM4EPKM
SCHEMBL2420946 0.67 KDM4E (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 TP53 1794/4885GUCY1B2 2678/4885GUCY1A2 2157/4885

“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.