SCHEMBL10003432

SCHEMBL10003432

CCc1cc2c(nc1-c1ccccc1NS(C)(=O)=O)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ ATM Q13315 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ TRPV1 Q8NER1 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BRPF1 P55201 2/20 0.31
▸ PLAUR Q03405 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL10004406 0.91 TSHR (0.38) PDE5APDE3BPDE3AMMP2MEN1
SCHEMBL10003803 0.84 MAPT (0.35) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10003106 0.83 GRIA2 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10003689 0.83 SMO (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10003507 0.83 GRIA2 (0.39) KDM4EALDH1A1HPGDBRPF1BRD4
SCHEMBL10003857 0.82 MCL1 (0.36) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10003403 0.76 ERCC1 (0.35) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10003551 0.76 GRIA2 (0.37) MCL1KDM4EALDH1A1HPGD
SCHEMBL10002819 0.75 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10003186 0.74 BRPF1 (0.44) ATMMEN1KMT2ANPSR1KDM4E

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 PDE5A 187/4885PDE3B 156/4885PDE3A 203/4885

“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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