SCHEMBL10002854

SCHEMBL10002854

CCOc1c(C(=O)O)n(C)c2cc(CC)c(NC(=O)c3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 5/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL10003285 0.92 HTT (0.49) HTTRAB9ANPC1MAPTGAA
SCHEMBL10003720 0.90 SMO (0.39) P2RX3HTTRAB9ANPC1MAPT
SCHEMBL10003186 0.89 BRPF1 (0.44) P2RX3HTTRAB9ANPC1MAPT
SCHEMBL10003128 0.82 HTT (0.44) HTTRAB9ANPC1MAPTGAA
SCHEMBL10002791 0.81 SMO (0.52) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL10003387 0.81 NPC1 (0.40) HTTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10004423 0.75 RAB9A (0.42) HTTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10004367 0.74 SMO (0.62) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10003836 0.73 ADORA2A (0.44) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL10003462 0.73 SMN1; SMN2 (0.47) RAB9ANPC1MAPTGAASMN1; 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 P2RX3 3582/4885HTT 3635/4885FGFR1 103/4885

“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.

Send feedback