SCHEMBL7027610

SCHEMBL7027610

Cc1c(NN=C(N)N)ccc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KMT2A Q03164 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
MEN1 O00255 7/20 0.48
TDP1 Q9NUW8 7/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 6/20 0.45
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43

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
SCHEMBL6142180 0.78 CYP3A4 (0.48) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL7027606 0.75 MAPT (0.50) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL6142388 0.74 LMNA (0.49) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL7032103 0.72 ALDH1A1 (0.41) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL6969203 0.71 ADRA2A (0.51) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL3070366 0.69 LMNA (0.63) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL5540587 0.69 MMP2 (0.59) MAPTKMT2ASMN1; SMN2MEN1TDP1
SCHEMBL4349747 0.68 MMP2 (0.56) MAPTSMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL8404537 0.68 LMNA (0.68) MAPTSMN1; SMN2TDP1NPC1ALDH1A1
SCHEMBL10515967 0.67 MAPT (0.51) MAPTKMT2AMEN1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944601-B1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2003-02-12 EP claimed
US-20020095039-A1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-07-18 US claimed
US-20020028950-A1 Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-03-07 US claimed
US-6306877-B1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE CO. 2001-10-23 US claimed
US-6172095-B1 DECONGESTANTS, ANALGESICS, HYPOTENSIVE AGENTS; TREATING HEADACHES, OTITIS MEDIA, SINUSITUS, GASTROINTESTINAL AND RESPIRATORY SYSTEM DISORDERS; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY 2001-01-09 US claimed
EP-0944601-A1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP claimed
WO-1998023591-A1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO claimed
US-6610720-B2 Administering to the patient an alpha-2 adrenoreceptor agonist for the treatment or prevention of emesis MERCK FROSST CANADA & CO. (CA) 2003-08-26 US disclosed
EP-0944601-B1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2003-02-12 EP disclosed
US-6436978-B1 FOR PREVENTING OR TREATING DISORDERS MODULATED BY ALPHA-2 ADRENOCEPTORS THE PROCTER & GAMBLE CO. 2002-08-20 US disclosed
US-20020095039-A1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-07-18 US disclosed
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 US disclosed
US-20020028950-A1 Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-03-07 US disclosed
US-6306877-B1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE CO. 2001-10-23 US disclosed
US-6172095-B1 DECONGESTANTS, ANALGESICS, HYPOTENSIVE AGENTS; TREATING HEADACHES, OTITIS MEDIA, SINUSITUS, GASTROINTESTINAL AND RESPIRATORY SYSTEM DISORDERS; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY 2001-01-09 US disclosed
EP-0944601-A1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023591-A1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 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 (3 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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C MAPT 4165/4885KMT2A 2884/4885SMN1; SMN2 1580/4885
US-20020095039-A1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A MAPT 318/4885KMT2A 2877/4885SMN1; SMN2 1179/4885
US-20020028950-A1 Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A MAPT 652/4885KMT2A 2670/4885SMN1; SMN2 1342/4885

“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.