SCHEMBL10004428

SCHEMBL10004428

CCOC(=O)c1c(OCC(F)(F)F)c2nc(OCc3ccccc3)c(CC)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PPIA P62937 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ATP4A P20648 1/20 0.34

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
SCHEMBL10002985 0.91 SRD5A2 (0.39) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10002969 0.91 KMT2A (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10004160 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10004315 0.84 NPC1 (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10003291 0.84 KDM4E (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10003381 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10004289 0.81 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10003557 0.80 CYP1A2 (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10003093 0.78 KDM4E (0.35) ALDH1A1KMT2AMAPTSMN1; SMN2MAOB
SCHEMBL10003325 0.77 KDM4E (0.35) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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 ALDH1A1 321/4885KMT2A 423/4885MAPT 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.

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