SCHEMBL3651264

SCHEMBL3651264

O=C(Nc1ccccc1)C(=O)ONc1ncc2cn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ FLT3 P36888 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ RAB9A P51151 6/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ PKM P14618 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ ATR Q13535 2/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL5013515 0.73 CCNE1 (0.50) ROCK2ROCK1RAB9AMAPTMEN1
SCHEMBL3415683 0.73 CDK2 (0.55) FLT3RAB9ANPC1MAPTGAA
SCHEMBL5017650 0.72 NPC1 (0.55) BRAFRAB9ANPC1MAPTGAA
SCHEMBL5015389 0.69 DEGS1 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5014078 0.68 SMN1; SMN2 (0.57) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL3646898 0.68 ROCK2 (0.36) ROCK2ROCK1FLT3BRAFRAB9A
SCHEMBL80255 0.67 ROCK2 (0.43) ROCK2ROCK1FLT3BRAFRAB9A
SCHEMBL31412961 0.67 ROCK2 (0.47) ROCK2ROCK1GAAKDM4EL3MBTL1
SCHEMBL11732509 0.66 NAPRT (0.50) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL18705467 0.65 RAB9A (0.60) ROCK2ROCK1BRAFRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — 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 (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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ROCK2 501/4885ROCK1 365/4885FLT3 766/4885

“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.

Send feedback