SCHEMBL5742555

SCHEMBL5742555

Cc1cc(N2CCN(c3ccccc3)CC2)nc(N)n1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.97
GFER P55789 1/20 0.97
KDM4E B2RXH2 4/20 0.67
LMNA P02545 2/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CRHBP P24387 2/20 0.65
CRHR2 Q13324 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
ALOX15 P16050 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
DHFR P00374 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
HRH4 Q9H3N8 2/20 0.54
HTR3A P46098 1/20 0.54

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
SCHEMBL5742926 0.84 MAPT (0.70) MAPTGFERKDM4ELMNATSHR
Hydrochloric Acid SCHEMBL5742940 0.83 MAPT (0.73) MAPTGFERKDM4ELMNATSHR
SCHEMBL5791898 0.82 MAPT (0.68) MAPTGFERKDM4ELMNATSHR
SCHEMBL31647387 0.81 MAPT (0.67) MAPTGFERKDM4ELMNATSHR
SCHEMBL1616232 0.80 HRH4 (0.72) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL9013259 0.80 MAPT (1.00) MAPTGFERKDM4ELMNATSHR
SCHEMBL5788921 0.80 CRHBP (0.96) MAPTGFERLMNATSHRHSD17B10
SCHEMBL5742735 0.80 MAPT (0.64) MAPTGFERKDM4ELMNATSHR
SCHEMBL5789932 0.79 CRHBP (1.00) MAPTGFERTSHRCRHBPCRHR2
SCHEMBL24313224 0.78 CRHBP (1.00) MAPTGFERLMNATSHRHSD17B10

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
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 EP claimed
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 WO claimed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 WO claimed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 US claimed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 EP claimed
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 EP disclosed
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 WO disclosed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 WO disclosed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 US disclosed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 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 (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-20050032810-A1 Novel anthelmintic and insecticidal compositions ACHE, DHX29, DHX35 MAPT 3780/4885GFER 3680/4885KDM4E 1695/4885

“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.