SCHEMBL30009481

SCHEMBL30009481

NCCCNC(=O)c1cn(-c2ccccc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.63
ACKR3 P25106 3/20 0.56
MIF P14174 3/20 0.52
ESRRA P11474 1/20 0.50
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
P2RY14 Q15391 2/20 0.46
OPRD1 P41143 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAOA P21397 1/20 0.46
NOTUM Q6P988 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28542983 0.83 RIPK1 (0.56) RIPK1ACKR3MIFESRRAFAAH
SCHEMBL21635351 0.83 RIPK1 (0.56) RIPK1ACKR3MIFESRRAFAAH
SCHEMBL17883261 0.82 RIPK1 (0.63) RIPK1ACKR3MIFESRRAKDM4E
SCHEMBL17883296 0.82 RIPK1 (0.63) RIPK1ACKR3MIFESRRANPC1
SCHEMBL73126 0.81 RIPK1 (0.62) RIPK1ACKR3MIFESRRANOTUM
SCHEMBL17883253 0.77 RIPK1 (0.58) RIPK1ACKR3MIFESRRANOTUM
SCHEMBL18646129 0.74 ALDH1A1 (0.47) ACKR3
SCHEMBL19691104 0.74 ESRRA (0.63) RIPK1ESRRAFAAHMGLLMAOA
SCHEMBL69876 0.73 ESRRA (0.62) RIPK1MIFESRRAMAOANOTUM
SCHEMBL27768462 0.73 ESRRA (0.71) RIPK1ESRRANOTUMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction HUYABIO INTERNATIONAL, LLC (US) 2024-08-06 US disclosed
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-03-30 US disclosed
US-11479545-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-10-25 US 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 (3 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-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction WDR5, MLLT1, WDR1 RIPK1 308/4885ACKR3 4436/4885MIF 2823/4885
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION WDR5, MLLT1, WDR1 RIPK1 308/4885ACKR3 4436/4885MIF 2823/4885
US-11479545-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction WDR5, MLLT1, WDR1 RIPK1 308/4885ACKR3 4436/4885MIF 2823/4885

“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.