SCHEMBL31162002

SCHEMBL31162002

Cc1onc(C(=O)NCc2nnc(-c3ccccc3)s2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL31162110 0.83 KMT2A (0.46) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31162112 0.82 HIF1A (0.50) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31161972 0.81 RAB9A (0.67) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31162064 0.81 KMT2A (0.47) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31161986 0.81 POLB (0.57) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31162170 0.78 ALPG (0.50) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31161932 0.77 POLB (0.56) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31123929 0.77 RAB9A (0.48) KMT2ATP53KDM4ERAB9AUSP2
SCHEMBL31162107 0.77 HCAR2 (0.44) TP53KDM4ERAB9AUSP2GFER
SCHEMBL31162048 0.76 NPC1 (0.53) KMT2ATP53KDM4ERAB9AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — US claimed
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — 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 (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-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN KMT2A 1875/4885TP53 2506/4885KDM4E 1872/4885

“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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