SCHEMBL10003670

SCHEMBL10003670

CCOC(=O)c1c(O)c2cc(Br)c(C)nc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40

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
SCHEMBL10003830 0.87 MAPT (0.43) MAPTGAAPKMMAPK1SMN1; SMN2
SCHEMBL10003454 0.82 MAPT (0.40) MAPTGAAPKMMAPK1SMN1; SMN2
SCHEMBL8832211 0.79 CA12 (0.42) MAPTGAAALOX15CA12CA1
SCHEMBL10003444 0.79 ALDH1A1 (0.39) MAPTGAAMAPK1SMN1; SMN2HCRTR1
SCHEMBL10004033 0.73 MAPT (0.41) MAPTGAAPKMMAPK1SMN1; SMN2
SCHEMBL6780202 0.71 KDM4E (0.44) MAPTMAPK1SMN1; SMN2TP53ALOX15
SCHEMBL370542 0.70 MAPK1 (0.49) MAPTGAAMAPK1SMN1; SMN2HCRTR1
SCHEMBL25205865 0.70 KMT2A (0.43) MAPTMAPK1SMN1; SMN2HCRTR1TP53
SCHEMBL29367154 0.70 KMT2A (0.43) MAPTMAPK1SMN1; SMN2HCRTR1TP53
SCHEMBL10003486 0.70 KMT2A (0.40) MAPTGAAPKMMAPK1SMN1; 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 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 MAPT 4783/4885GAA 3144/4885PKM 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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