SCHEMBL10003033

SCHEMBL10003033

CCOC(=O)c1c(OC(C)C)c2cc(N=C(c3ccccc3)c3ccccc3)c(CC)nc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 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
SCHEMBL10003335 0.91 MAPT (0.41) MAPTALDH1A1CCKBRTP53SMN1; SMN2
SCHEMBL10003208 0.85 ALDH1A1 (0.35) MAPTALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL10003283 0.81 BRPF1 (0.45) MAPTALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL10003479 0.81 MAPT (0.41) MAPTALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL12003569 0.79 MAPT (0.37) MAPTALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL10003256 0.76 BRPF1 (0.46) MAPTALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL10003456 0.75 MAPT (0.43) MAPTALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL10003034 0.74 HTT (0.44) MAPTALDH1A1CCKBRSMN1; SMN2RAB9A
SCHEMBL10003372 0.73 ELANE (0.36) MAPTALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL10003487 0.73 LMNA (0.48) MAPTALDH1A1SMN1; SMN2MAPK1NPSR1

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 4783/4885ALDH1A1 321/4885CCKBR 419/4885

“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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