SCHEMBL4405832

SCHEMBL4405832

O=C(Nc1ncc2nc[nH]c2n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BRD4 O60885 1/20 0.46
▸ F2 P00734 3/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ F12 P00748 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KMT2A Q03164 3/20 0.44

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
SCHEMBL30151959 0.82 SYK (0.34) GAAHDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL8720225 0.79 CDK2 (0.59) CYP1A2CYP3A4GAACYP2C19BRD4
SCHEMBL10644616 0.79 ALDH1A1 (0.56) GAAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5694143 0.78 MEN1 (0.51) CYP1A2CYP3A4GAACYP2C19BRD4
SCHEMBL5492353 0.78 GAA (0.57) GAAADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL5196384 0.77 GDA (0.40) CYP1A2CYP2C19ADORA1ADORA3SMN1; SMN2
SCHEMBL5017650 0.77 NPC1 (0.55) CYP1A2CYP3A4GAACYP2C19F2
SCHEMBL8121389 0.76 BRD4 (0.51) CYP1A2BRD4F2ADORA1F12
SCHEMBL31060745 0.76 NPC1 (0.58) CYP1A2CYP3A4GAACYP2C19ADORA1
SCHEMBL6307534 0.76 NPC1 (0.58) CYP1A2CYP3A4GAACYP2C19ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 — — US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 — — US disclosed
EP-1108724-B1 Synthesis of methoxy nucleosides and enzymatic nucleic acid molecules SIRNA THERAPEUTICS INC (US) 2007-09-19 — — EP disclosed
US-6972330-B2 Contacting N4-acetyl-5',3'-di-O-acetyl-2'-O- methyl cytidine with Lewis acid to form 2'-)-methyladenosine nucleoside which is converted to phosphoramidite SIRNA THERAPEUTICS, INC. (US) 2005-12-06 — — US disclosed
US-20030204078-A1 Chemical synthesis of methoxy nucleosides RIBOZYME PHARMACEUTICALS, INC. 2003-10-30 — — US disclosed
EP-1108724-A2 Synthesis of methoxy nucleosides and enzymatic nucleic acid molecules RIBOZYME PHARMACEUTICALS, INC. (US) 2001-06-20 — — EP disclosed
EP-0886641-A2 SYNTHESIS OF METHOXY NUCLEOSIDES AND ENZYMATIC NUCLEIC ACID MOLECULES RIBOZYME PHARMACEUTICALS, INC. (US) 1998-12-30 — — EP disclosed
WO-1997026270-A2 SYNTHESIS OF METHOXY NUCLEOSIDES AND ENZYMATIC NUCLEIC ACID MOLECULES RIBOZYME PHARMACEUTICALS, INC. (US) 1997-07-24 — — 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 (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-20030204078-A1 Chemical synthesis of methoxy nucleosides UMPS, PNP, NUDT1 CYP1A2 671/4885CYP3A4 524/4885GAA 1066/4885

“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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