SCHEMBL20572003

SCHEMBL20572003

O=C1NCCc2cc(F)c(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.56
PARP11 Q9NR21 9/20 0.56
PARP1 P09874 6/20 0.56
KDM4E B2RXH2 1/20 0.50
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
GRM5 P41594 5/20 0.47
PDPK1 O15530 1/20 0.44

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
SCHEMBL24680794 0.93 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL15466514 0.85 PARP10 (0.62) PARP10PARP11PARP1KDM4EF7
SCHEMBL15727828 0.82 CLK4 (0.46) PARP10PARP11PARP1GRM5
SCHEMBL30013219 0.82 CLK4 (0.46) PARP10PARP11PARP1GRM5
SCHEMBL30285367 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL21333738 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL12559528 0.79 GRM5 (0.59) PARP10PARP11PARP1KDM4EF7
SCHEMBL17073495 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL23865194 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL4500561 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218051-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-11-29 WO 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 (4 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-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 PARP10 1423/4885PARP11 790/4885PARP1 972/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 PARP10 501/4885PARP11 487/4885PARP1 1588/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 PARP10 1423/4885PARP11 790/4885PARP1 972/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 PARP10 555/4885PARP11 553/4885PARP1 1697/4885

“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.