Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496035

SCHEMBL4496035

SCHEMBL4496035

O=C(O)[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ BRD4 O60885 2/20 0.58
▸ LMNA P02545 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ NT5C2 P49902 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ NT5E P21589 1/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL15184841 0.81 MCL1 (0.46) SMN1; SMN2MEN1KMT2AMCL1
SCHEMBL38666421 0.76 BRD4 (0.66) BRD4LMNAMAPK1TSHRCYP1A2
SCHEMBL29514799 0.74 BRD4 (1.00) BRD4NT5C2NT5ENPC1RAB9A
SCHEMBL6016698 0.73 LMNA (0.66) SMN1; SMN2BRD4LMNAMAPK1TSHR
6-Benzylaminopurine SCHEMBL29349525 0.73 LMNA (1.00) SMN1; SMN2LMNAMAPK1TSHRCYP1A2
6-Benzylaminopurine SCHEMBL27965572 0.73 LMNA (1.00) SMN1; SMN2LMNAMAPK1TSHRCYP1A2
6-Benzylaminopurine SCHEMBL37358 0.73 LMNA (1.00) SMN1; SMN2LMNAMAPK1TSHRCYP1A2
6-Benzylaminopurine SCHEMBL27898316 0.72 LMNA (0.85) SMN1; SMN2BRD4LMNAMAPK1TSHR
6-Benzylaminopurine SCHEMBL8378682 0.72 LMNA (0.97) SMN1; SMN2LMNAMAPK1TSHRCYP1A2
6-Benzylaminopurine SCHEMBL30241517 0.72 LMNA (0.97) SMN1; SMN2LMNAMAPK1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586986-B2 Substituted 7-deazapurine ribonucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2017-03-07 — — US disclosed
US-20160159844-A1 NOVEL SUBSTITUTED 7-DEAZAPURINE RIBONUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2016-06-09 — — US disclosed
US-8513205-B2 Potent chimeric NRTI-NNRTI bifunctional inhibitors of HIV-1 reverse transcriptase YALE UNIVERSITY (US) 2013-08-20 — — US disclosed
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 — — US disclosed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 — — 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 (2 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-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT SMN1; SMN2 2810/4885BRD4 886/4885LMNA 4587/4885
US-20160159844-A1 NOVEL SUBSTITUTED 7-DEAZAPURINE RIBONUCLEOSIDES FOR THERAPEUTIC USES NSUN2, DUT, TYMP SMN1; SMN2 468/4885BRD4 2721/4885LMNA 2891/4885

“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.