SCHEMBL725049

SCHEMBL725049

CS(=O)(=O)c1cncc(-c2ccnc3cc(-c4ccc(N5CCNCC5)cc4)oc23)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
ACVR1 Q04771 13/20 0.41
TGFBR1 P36897 4/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
BMPR1B O00238 4/20 0.39
BMPR1A P36894 4/20 0.39
ACVRL1 P37023 4/20 0.39
ACVR1B P36896 3/20 0.39
FLT3 P36888 1/20 0.39
DDR1 Q08345 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
USP28 Q96RU2 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
USP8 P40818 2/20 0.38

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
SCHEMBL15209104 0.83 MAPKAPK2 (0.48) PIM1ACVR1TGFBR1CCNT1CDK9
SCHEMBL15216705 0.82 CHEK1 (0.47) PIM1ACVR1TGFBR1CDK9BMPR1B
SCHEMBL723929 0.82 PIM1 (0.50) PIM1ACVR1TGFBR1BMPR1BBMPR1A
SCHEMBL725211 0.80 CCNC (0.40) FLT3
SCHEMBL30765389 0.80 NMT1 (0.49)
SCHEMBL723000 0.79 ACVR1 (0.47) ACVR1TGFBR1CCNT1CDK9BMPR1B
SCHEMBL725130 0.79 PIK3C3 (0.36) CDK2
SCHEMBL722250 0.78 ACVR1 (0.51) PIM1ACVR1TGFBR1CCNT1CDK9
SCHEMBL721482 0.78 ACVR1 (0.44) PIM1ACVR1TGFBR1CCNT1CDK9
SCHEMBL723677 0.78 TNKS (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB PIM1 404/4885ACVR1 2178/4885TGFBR1 455/4885

“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.