SCHEMBL6950642

SCHEMBL6950642

CCCCn1cnc2cncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
CYP1A2 P05177 3/20 0.50
TSHR P16473 2/20 0.50
FDPS P14324 1/20 0.49
LTA4H P09960 1/20 0.48
LMNA P02545 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL3691691 0.95 FDPS (0.48) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL8649807 0.94 FDPS (0.47) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL10163117 0.90 FDPS (0.51) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL31024294 0.90 FDPS (0.51) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL28418912 0.88 FDPS (0.43) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL5017550 0.85 FDPS (0.50) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL5017009 0.83 FDPS (0.49) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL5017010 0.83 FDPS (0.49) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL11249434 0.83 FDPS (0.49) ADORA2ACYP1A2TSHRFDPSLTA4H
SCHEMBL7102528 0.83 FDPS (0.49) ADORA2ACYP1A2TSHRFDPSLTA4H

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912055-B Method for synthesizing antiviral drug cidofovir intermediate and bucyclovir intermediate 河南师范大学 2020-06-30 CN claimed
CN-108912055-A A method of synthesis antiviral agent cidofovir and Buciclovir 河南师范大学 2018-11-30 CN claimed
CN-101258834-A Method for breeding high content stevioside genetic material UNIV GUILIN TECH GUT (CN) 2008-09-10 CN claimed
CN-108912055-B Method for synthesizing antiviral drug cidofovir intermediate and bucyclovir intermediate 河南师范大学 2020-06-30 CN disclosed
CN-108912055-A A method of synthesis antiviral agent cidofovir and Buciclovir 河南师范大学 2018-11-30 CN disclosed
CN-104918939-B Purine inhibitors of human phosphatidylinositol 3-kinase 默沙东公司 2018-08-28 CN disclosed
CN-108342002-A A kind of dynamic aggregation object and its application with hybrid cross-linked network 翁秋梅 2018-07-31 CN disclosed
CN-108342037-A A kind of energy-absorbing method based on hybrid cross-linked network dynamic polymer 翁秋梅 2018-07-31 CN disclosed
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
CN-101258834-A Method for breeding high content stevioside genetic material UNIV GUILIN TECH GUT (CN) 2008-09-10 CN disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (4 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-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ADORA2A 3413/4885CYP1A2 104/4885TSHR 4172/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ADORA2A 4014/4885CYP1A2 59/4885TSHR 3740/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 ADORA2A 4717/4885CYP1A2 164/4885TSHR 4052/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ADORA2A 3840/4885CYP1A2 38/4885TSHR 4466/4885

“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.