SCHEMBL2173526

SCHEMBL2173526

Cc1c(NC(=O)OC(C)(C)C)cnn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
KDM1A O60341 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
SYK P43405 1/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
NAMPT P43490 1/20 0.36
METAP1 P53582 1/20 0.36
BRD4 O60885 1/20 0.36
IDO1 P14902 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CNR2 P34972 1/20 0.36
NMT1 P30419 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL23009294 0.83 ATR (0.40) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL18366036 0.83 GSK3B (0.39) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL22952416 0.83 GSK3B (0.39) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL18283999 0.83 CYP17A1 (0.39) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL22322779 0.83 CNR2 (0.40) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL21164202 0.81 GSK3B (0.37) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL24255779 0.81 GSK3B (0.37) BRD9GSK3BDYRK1ARORCMAPK14
SCHEMBL6133253 0.81 MAPK14 (0.40) BRD9GSK3BDYRK1ARAB9AMAPK14
SCHEMBL24255818 0.81 CNR2 (0.53) BRD9GSK3BDYRK1AMAPK14NAMPT
SCHEMBL18215152 0.81 GSK3B (0.37) BRD9GSK3BDYRK1ARORCMAPK14

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
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 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 (3 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS MAPK1 602/4885BRD9 2483/4885KDM1A 1185/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS MAPK1 877/4885BRD9 1459/4885KDM1A 677/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 MAPK1 675/4885BRD9 2299/4885KDM1A 1016/4885

“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.