SCHEMBL1034424

SCHEMBL1034424

O=C(Nc1cccnc1)c1cccc2ncc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.52
KIT P10721 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
BRAF P15056 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
TSHR P16473 1/20 0.51
PARP1 P09874 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.50
PIKFYVE Q9Y2I7 2/20 0.49
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LRRK2 Q5S007 2/20 0.48
CYP2C9 P11712 1/20 0.48
CA12 O43570 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
SCHEMBL1032356 0.86 CSF1R (0.54) CSF1RKITKDRMAPK14BRAF
SCHEMBL1034847 0.86 KMT2A (0.54) KMT2AMEN1MAPTPIKFYVELMNA
SCHEMBL1035340 0.86 CYP2C9 (0.58) KMT2AMEN1MAPTLMNACYP2C9
SCHEMBL1077022 0.84 MPL (0.51) TSHRPARP1RXFP1NPSR1CA12
SCHEMBL1031211 0.83 PARP1 (0.52) KMT2AMEN1TSHRPARP1RXFP1
SCHEMBL1035300 0.82 LMNA (0.51) KDRKMT2AMEN1PARP1MAPT
SCHEMBL1034684 0.82 CSF1R (0.56) CSF1RKITKDRMAPK14BRAF
SCHEMBL1033582 0.81 CSF1R (0.51) CSF1RKITKDRMAPK14BRAF
SCHEMBL1035376 0.81 CSF1R (0.52) CSF1RKITKDRMAPK14BRAF
SCHEMBL1033372 0.80 PARP1 (0.62) KMT2AMEN1PARP1LMNASMN1; SMN2

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CSF1R 995/4885KIT 2952/4885KDR 1845/4885

“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.