SCHEMBL10003486

SCHEMBL10003486

CCOC(=O)c1c(O)c2nc(Br)c(CC)nc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL10004195 0.82 KMT2A (0.36) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10002988 0.79 GABRA2 (0.50) KMT2AMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL10003830 0.79 MAPT (0.43) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10003266 0.77 GABRA2 (0.49) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10003357 0.76 ALDH1A1 (0.45) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10003477 0.76 HTT (0.47) MAPTGAAALDH1A1SMN1; SMN2GABRA2
SCHEMBL10003662 0.72 GAA (0.33) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10003237 0.71 RAB9A (0.51) KMT2AMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL10003670 0.70 MAPT (0.44) KMT2AMAPTGAAALDH1A1PKM
SCHEMBL10004033 0.69 MAPT (0.41) KMT2AMAPTGAAALDH1A1PKM

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 KMT2A 423/4885MAPT 4783/4885GAA 3144/4885

“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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