SCHEMBL10292589

SCHEMBL10292589

CCc1nc2c(cc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA2 P00918 9/20 0.42
▸ CA1 P00915 8/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ BRPF1 P55201 1/20 0.38

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 0.91 BRPF1 (0.43) TP53KDM4EBRD4HDAC1BRPF1
SCHEMBL10292949 0.88 NAMPT (0.42) KDM4EBRD4HDAC1BRPF1
SCHEMBL10292588 0.85 BRPF1 (0.45) TSHRKDM4EHDAC1BRPF1
SCHEMBL10292511 0.84 BRPF1 (0.42) TSHRKDM4EHDAC1BRPF1
SCHEMBL10292587 0.84 KDM4E (0.46) TSHRMEN1KMT2AKDM4EHDAC1
SCHEMBL10004164 0.83 BRPF1 (0.47) TSHRMEN1KMT2AKDM4EHDAC1
SCHEMBL10292940 0.83 BRPF1 (0.41) BRD4HDAC1NR1H4BRPF1
SCHEMBL10004068 0.82 BRPF1 (0.38) MEN1KMT2AHDAC1BRPF1
SCHEMBL10292946 0.82 BRPF1 (0.42) TP53KMT2AKDM4EHDAC1BRPF1
SCHEMBL10292619 0.82 BRPF1 (0.42) TSHRMEN1KMT2AKDM4EHDAC1

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 TP53 43/4885TSHR 2374/4885CA2 1531/4885

“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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