Sugi Predict

Sugi Predict / Compounds / SCHEMBL4306357

SCHEMBL4306357

SCHEMBL4306357

O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1-c1ccc(CO)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.74
▸ KCNJ6 P48051 3/20 0.62
▸ KCNJ3 P48549 3/20 0.62
▸ KCNJ5 P48544 2/20 0.62
▸ GRM5 P41594 5/20 0.60
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPK14 Q16539 2/20 0.57
▸ MAPK13 O15264 1/20 0.57
▸ MAPK12 P53778 1/20 0.57
▸ MAPK11 Q15759 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NTRK1 P04629 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL4054109 0.83 MEN1 (0.62) PTPN1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL4055653 0.82 PTPN1 (0.67) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL14133258 0.82 PTPN1 (0.83) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL2083568 0.81 MAPK14 (0.63) PTPN1KCNJ6KCNJ3KCNJ5MAPK14
SCHEMBL4298803 0.81 PTPN1 (0.64) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL3293597 0.80 MAPK14 (0.83) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL2080380 0.80 MAPK14 (0.67) PTPN1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL13576977 0.80 PTPN1 (0.72) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL12507772 0.77 KCNJ6 (0.62) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL14548085 0.77 KMT2A (0.57) PTPN1KCNJ6KCNJ3KCNJ5MAPT

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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 — — US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 — — US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — 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 (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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 PTPN1 292/4885KCNJ6 4281/4885KCNJ3 4438/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 PTPN1 1275/4885KCNJ6 2415/4885KCNJ3 2494/4885

“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.