SCHEMBL12378913

SCHEMBL12378913

CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.53
▸ ADA P00813 1/20 0.53
▸ PI4KA P42356 3/20 0.52
▸ PI4K2B Q8TCG2 3/20 0.52
▸ PI4K2A Q9BTU6 3/20 0.52
▸ PI4KB Q9UBF8 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ ADORA2A P29274 4/20 0.50
▸ STING1 Q86WV6 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL14064196 1.00 AHCY (0.53) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL887899 0.89 ADA (0.61) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL20059210 0.89 ADA (0.61) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL13790712 0.89 ADA (0.61) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL25496381 0.88 AHCY (0.53) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL18519971 0.87 POLB (0.52) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL26189592 0.87 POLB (0.62) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL14639883 0.87 POLB (0.62) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL12837026 0.87 POLB (0.62) AHCYADAPI4KAPI4K2BPI4K2A
SCHEMBL12352424 0.87 POLB (0.62) AHCYADAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 — — US disclosed
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS INC (US) 2023-09-21 — — US disclosed
US-8008007-B2 S-adenosyl-L-methionine analogs with extended activated groups for transfer by methyltransferases RWTH AACHEN (DE) 2011-08-30 — — US disclosed
US-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2009-01-15 — — 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-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 AHCY 3405/4885ADA 1726/4885PI4KA 829/4885
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 AHCY 3405/4885ADA 1726/4885PI4KA 829/4885
US-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES BHMT2, MSRB3, PRMT3 AHCY 29/4885ADA 277/4885PI4KA 4818/4885

“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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