SCHEMBL2396550

SCHEMBL2396550

Cc1nc(N)sc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PKM P14618 1/20 0.63
HTT P42858 1/20 0.63
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AURKA O14965 1/20 0.47
CCNT1 O60563 1/20 0.47

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
SCHEMBL3886944 0.83 MAPT (0.89) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL49097 0.82 AURKA (0.57) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL2395876 0.81 RAB9A (0.49) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL16490379 0.80 GAA (0.51) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL31312635 0.79 RAB9A (0.47) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL12943394 0.78 MAPT (0.70) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL30818066 0.78 MAPT (1.00) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL5084206 0.77 MAPT (0.74) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL1304933 0.77 MAPT (0.78) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL48725 0.76 PIK3CD (0.58) MAPTMAPK1SMN1; SMN2NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
CN-100569770-C 5-phenyl thiazole derivant and they purposes as the PI3 kinase inhibitor NOVARTIS AG (CH) 2009-12-16 CN disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
CN-1780832-A 5-phenylthiazole derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2006-05-31 CN disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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 (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-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 MAPT 4207/4885ALDH1A1 1585/4885MAPK1 141/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 MAPT 1425/4885ALDH1A1 4017/4885MAPK1 82/4885

“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.