Sugi Predict

Sugi Predict / Compounds / SCHEMBL855501

SCHEMBL855501

SCHEMBL855501

CC(C)(C)C(=O)Nc1ccc(-c2nc(O)cc(=O)[nH]2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.47
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ PTGES O14684 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL855847 0.71 KDR (0.57) KDRTP53SMN1; SMN2ABL1ADORA1
SCHEMBL5125646 0.71 KDR (0.60) KDRADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL15201632 0.70 DEGS1 (0.60) KDRNPC1RAB9APAX8KLF5
SCHEMBL27995832 0.69 KDR (0.57) KDRABL1ADORA1CYP1A2CYP3A4
SCHEMBL1721767 0.67 RAB9A (0.68) KDRTP53SMN1; SMN2MAPTKDM4E
SCHEMBL312896 0.66 SMN1; SMN2 (0.41) TP53SMN1; SMN2MAPTKDM4EADORA1
SCHEMBL126671 0.66 ABL1 (0.51) KDRTP53SMN1; SMN2MAPTABL1
SCHEMBL2033431 0.66 RAB9A (0.55) KDRTP53SMN1; SMN2MAPTMEN1
SCHEMBL28455 0.66 PTK2 (0.67) KDRTP53SMN1; SMN2MAPTMEN1
SCHEMBL1163357 0.66 PTGS1 (0.54) KDRTP53SMN1; SMN2MAPTABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 — — EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 — — EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 — — 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A KDR 826/4885TP53 1075/4885SMN1; SMN2 3893/4885

“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.