SCHEMBL10003333

SCHEMBL10003333

CCOC(=O)c1c(OC(C)C)c2cc(NC(=O)c3ccc(F)cc3)c(CC)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL12003723 0.91 ALDH1A1 (0.43) LMNAMAPTALDH1A1HPGDTHRB
SCHEMBL10003102 0.91 BRPF1 (0.48) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003219 0.91 MAPT (0.43) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10004016 0.85 HSD17B10 (0.39) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003487 0.84 LMNA (0.48) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003380 0.83 KDM4E (0.49) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003836 0.82 ADORA2A (0.44) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003879 0.82 BRPF1 (0.51) LMNAMAPTALDH1A1HPGDTSHR
SCHEMBL10003133 0.81 BRPF1 (0.41) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003901 0.80 SMO (0.44) LMNATSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KDM4E 405/4885LMNA 4452/4885MAPT 4783/4885

“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