SCHEMBL3205548

SCHEMBL3205548

CC1CCCN1c1cc(Cl)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
PDPK1 O15530 1/20 0.47
TGFBR1 P36897 1/20 0.47
AURKB Q96GD4 1/20 0.47
LMNA P02545 3/20 0.47
SMPD3 Q9NY59 2/20 0.45
KMT2A Q03164 2/20 0.45
MAP3K12 Q12852 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LRRK2 Q5S007 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR2 O95136 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL3717623 0.95 PDPK1 (0.52) MAPTCYP1A2CYP2D6PDPK1TGFBR1
SCHEMBL5791956 0.83 CRHBP (0.55) MAPTPDPK1TGFBR1AURKBSMPD3
SCHEMBL1319079 0.82 MAPT (0.51) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL3718749 0.81 MAPT (0.48) MAPTCYP1A2CYP2D6PDPK1AURKB
SCHEMBL1318813 0.81 MAPT (0.48) MAPTCYP1A2CYP2D6PDPK1LMNA
SCHEMBL1318430 0.79 CYP1A2 (0.60) MAPTCYP1A2CYP2D6PDPK1AURKB
SCHEMBL4165343 0.79 KMT2A (0.56) MAPTPDPK1TGFBR1AURKBSMPD3
SCHEMBL1317844 0.78 LMNA (0.50) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL3724931 0.78 LMNA (0.50) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL1317242 0.78 MAPT (0.48) MAPTCYP1A2CYP2D6LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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 (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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 MAPT 2860/4885CYP1A2 515/4885CYP2D6 300/4885

“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.