SCHEMBL2801062

SCHEMBL2801062

Cc1cc(C)nc(NC(N)=NCCc2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.73
RAB9A P51151 4/20 0.62
HRH4 Q9H3N8 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 5/20 0.54
ATP4A P20648 1/20 0.51
ATP4B P51164 1/20 0.51
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 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
SCHEMBL6509589 0.79 RAB9A (0.63) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL6508538 0.78 RAB9A (0.74) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL4101661 0.78 LMNA (0.54) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL4101663 0.78 LMNA (0.54) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL10388188 0.78 LMNA (0.54) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL10501633 0.77 ADORA2A (0.56) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL10501630 0.77 ADORA2A (0.56) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL6507406 0.76 RAB9A (0.52) ADORA2ARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4104981 0.75 ADORA2A (0.55) ADORA2ARAB9AHRH4MEN1KMT2A
SCHEMBL4104983 0.75 ADORA2A (0.55) ADORA2ARAB9AHRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
WO-2004037166-A2 THERAPEUTIC GUANIDINES ISIS PHARMACEUTICALS, INC. (US) 2004-05-06 WO disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E ADORA2A 3878/4885RAB9A 3313/4885HRH4 3509/4885
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E ADORA2A 32/4885RAB9A 1031/4885HRH4 366/4885

“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.