SCHEMBL21311158

SCHEMBL21311158

Nc1ncnc2c1ncn2C1(OCc2ccccc2)COC(CNCn2cnc3c(NCc4ccco4)ncnc32)C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ ADORA2A P29274 3/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ DOT1L Q8TEK3 2/20 0.35
▸ PI4KA P42356 1/20 0.35

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
SCHEMBL21311159 0.81 HTT (0.46) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL20097049 0.80 ADORA3 (0.51) HTTSMN1; SMN2TP53PAX8LMNA
SCHEMBL21311392 0.78 DOT1L (0.45) ADORA2ADOT1LPI4KAPI4K2BPI4K2A
SCHEMBL21311157 0.78 PI4KA (0.41) ADORA3ADORA2AADORA1DOT1LPI4KA
SCHEMBL21311391 0.77 ADORA2A (0.43) ADORA3ADORA2AADORA1DOT1LPI4KA
SCHEMBL21311156 0.77 ADORA2A (0.40) ADORA3ADORA2AADORA1DOT1LPI4KA
SCHEMBL21311397 0.76 DOT1L (0.43) ADORA2ADOT1LPI4KAPI4K2BPI4K2A
SCHEMBL20097018 0.72 ADORA3 (0.70) SMN1; SMN2TP53PAX8LMNAADORA3
SCHEMBL31711721 0.69 HTT (0.75) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL20097160 0.64 CCNB2 (0.69) HTTCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 HTT 2424/4885CCNB2 4302/4885CDK1 4187/4885

“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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