SCHEMBL10293045

SCHEMBL10293045

CCc1nc2c(cc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)NCc1ccco1)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALDH1A1 P00352 11/20 0.44
▸ MAPT P10636 7/20 0.44
▸ TSHR P16473 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10293264 0.88 BRPF1 (0.43) SMN1; SMN2TP53MAPTKDM4ELMNA
SCHEMBL10292588 0.87 BRPF1 (0.45) SMN1; SMN2ALDH1A1MAPTTSHRCYP2C9
SCHEMBL10292949 0.85 NAMPT (0.42) SMN1; SMN2KDM4ELMNABRPF1
SCHEMBL10004164 0.85 BRPF1 (0.47) HPGDSMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL10293047 0.84 P2RX3 (0.39) MAPTBRPF1
SCHEMBL10292946 0.84 BRPF1 (0.42) HPGDSMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10292511 0.84 BRPF1 (0.42) SMN1; SMN2ALDH1A1MAPTTSHRMAPK1
SCHEMBL10293272 0.84 BRPF1 (0.42) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL10292619 0.84 BRPF1 (0.42) SMN1; SMN2ALDH1A1MAPTTSHRMEN1
SCHEMBL10292940 0.83 BRPF1 (0.41) SMN1; SMN2MAPTRAB9AMAPK1BRPF1

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
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-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
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 HPGD 539/4885SMN1; SMN2 3164/4885TP53 43/4885

“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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