SCHEMBL10003280

SCHEMBL10003280

Cc1nc2c(nc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.44
▸ BRPF1 P55201 1/20 0.42
▸ ADORA3 P0DMS8 4/20 0.39
▸ TMIGD3 P0DMS9 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL10003735 0.90 HTT (0.45) P2RX3BRPF1ADORA3NPC1RAB9A
SCHEMBL10002910 0.87 BRPF1 (0.40) P2RX3BRPF1ADORA3TMIGD3NPC1
SCHEMBL10004000 0.82 P2RX3 (0.41) P2RX3ADORA3TMIGD3NPC1RAB9A
SCHEMBL10003583 0.81 BRPF1 (0.49) BRPF1NPC1RAB9AKDM4EMAPT
SCHEMBL10004116 0.81 SMO (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10003034 0.81 HTT (0.44) P2RX3BRPF1ADORA3NPC1RAB9A
SCHEMBL10003130 0.79 BCL2 (0.38) P2RX3ADORA3KDM4EMEN1KMT2A
SCHEMBL10003186 0.79 BRPF1 (0.44) P2RX3BRPF1ADORA3NPC1RAB9A
SCHEMBL10003385 0.79 TMIGD3 (0.38) ADORA3TMIGD3NPC1RAB9AKDM4E
SCHEMBL10003392 0.78 PPARG (0.33) BRPF1ADORA3NPC1RAB9AKDM4E

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 3582/4885BRPF1 1937/4885ADORA3 2049/4885

“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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