SCHEMBL73760

SCHEMBL73760

Nc1ncc(C2CCN(Cc3ccccc3)CC2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
DRD2 P14416 4/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DCPS Q96C86 1/20 0.49
DHFR P00374 1/20 0.49
ACHE P22303 2/20 0.47
CCR3 P51677 1/20 0.46
PTPRF P10586 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRA P18433 1/20 0.45
PTPN11 Q06124 1/20 0.45
BCHE P06276 1/20 0.45
ROCK1 Q13464 1/20 0.45
HPGDS O60760 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 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
Trifluoroacetic Acid SCHEMBL3778498 0.90 CHRM4 (0.47) HRH3DRD2DRD4DRD3MEN1
SCHEMBL2340443 0.83 HRH3 (0.50) HRH3DRD2DRD4DRD3MEN1
SCHEMBL5066413 0.79 MEN1 (0.50) HRH3DRD2DRD4DRD3MEN1
SCHEMBL6593436 0.79 SLC2A1 (0.56) HRH3DRD2DRD4DRD3MEN1
SCHEMBL6981484 0.76 DRD2 (0.58) HRH3DRD2DRD4DRD3MEN1
SCHEMBL6045689 0.76 MEN1 (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL30714999 0.74 DHFR (0.41) DHFR
SCHEMBL13490551 0.73 DRD2 (0.52) HRH3DRD2DRD4DRD3MEN1
SCHEMBL7583523 0.72 MEN1 (0.58) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL27471275 0.72 MEN1 (0.66) DRD2DRD4DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US claimed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US claimed
CN-103214460-A Chemical compounds SYNGENTA PARTICIPATIONS AG 2013-07-24 CN claimed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US claimed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US claimed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US claimed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US claimed
EP-1763302-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2007-03-21 EP claimed
WO-2006003494-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS INSECTICIDES, ACARICIDES, MOLLUSCICIDES OR NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-01-12 WO claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US disclosed
US-4774249-A Pyrimidine derivatives for treating malaria HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed
EP-0122580-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-10-28 EP disclosed
US-4590270-A 2,4-diamino-[4-piperidinyl]pyrimidines useful as antibacterial agents, antimalarial agents, antitumors agents HOFFMANN-LA ROCHE INC. (US) 1986-05-20 US disclosed
EP-0122580-A1 Pyrimidine derivatives, their preparation and pharmaceutical compositions F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 EP 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 HRH3 193/4885DRD2 1722/4885DRD4 1720/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 HRH3 318/4885DRD2 1922/4885DRD4 1979/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 HRH3 240/4885DRD2 2633/4885DRD4 2591/4885
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885DRD2 319/4885DRD4 587/4885

“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.