SCHEMBL10003981

SCHEMBL10003981

CCOC(=O)c1c(OC(C)C)c2nc(N(C)C(=O)c3ccccc3)c(C)nc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRB2 P47870 3/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA4 P48169 1/20 0.37

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
SCHEMBL10003392 0.90 PPARG (0.33) SMN1; SMN2RAB9ATP53ADORA3ALDH1A1
SCHEMBL10003360 0.81 CYP1A2 (0.47) MAPK1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL10003735 0.80 HTT (0.45) SMN1; SMN2RAB9AMAPTADORA3ADORA1
SCHEMBL10003530 0.78 SMO (0.42) MAPK1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL10003034 0.77 HTT (0.44) SMN1; SMN2RAB9AMAPTADORA3ADORA1
SCHEMBL10003875 0.75 ALDH1A1 (0.42) MAPK1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL10004195 0.72 KMT2A (0.36) MAPK1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL10003428 0.72 POLB (0.35) SMN1; SMN2RAB9AMAPTADORA1GABRA2
SCHEMBL10003256 0.72 BRPF1 (0.46) MAPK1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL10003335 0.72 MAPT (0.41) MAPK1SMN1; SMN2RAB9AMAPTTP53

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 MAPK1 1616/4885SMN1; SMN2 3164/4885RAB9A 1389/4885

“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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