SCHEMBL10003493

SCHEMBL10003493

CCc1cc2c(nc1Nc1cccc(OC)c1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CSNK2A1 P68400 4/20 0.42
▸ CSNK2A2 P19784 2/20 0.42
▸ CSNK2B P67870 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ MTNR1B P49286 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MTNR1A P48039 1/20 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
SCHEMBL10003248 0.91 EGFR (0.44) MEN1KMT2APKMMAPK1HTT
SCHEMBL10003554 0.82 SMO (0.40) MAPK1MAPTALDH1A1TSHRHPGD
SCHEMBL10003186 0.79 BRPF1 (0.44) MEN1KMT2AMAPK1HTTMAPT
SCHEMBL10003387 0.76 NPC1 (0.40) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL10003507 0.76 GRIA2 (0.39) MAPTALDH1A1POLBHPGDNPC1
SCHEMBL10004423 0.75 RAB9A (0.42) MEN1KMT2AMAPK1HTTMAPT
SCHEMBL10003857 0.75 MCL1 (0.36) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL10003320 0.72 BRPF1 (0.32) ALDH1A1LMNAHPGD
SCHEMBL10003803 0.72 MAPT (0.35) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL10003403 0.71 ERCC1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD

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 MEN1 335/4885KMT2A 423/4885PKM 4060/4885

“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.

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