SCHEMBL4906308

SCHEMBL4906308

Cc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 5/20 0.48
SPR P35270 2/20 0.46
HDAC3 O15379 2/20 0.45
NCOR1 O75376 2/20 0.45
HDAC2 Q92769 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR1D P28221 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABL1 P00519 3/20 0.44
BCR P11274 2/20 0.44
KIT P10721 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
SCHEMBL11968171 0.82 SPR (0.43) SPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2239979 0.81 SPR (0.42) SPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28536247 0.74 NR4A1 (0.68) EIF2AK2ABL1BCRNR4A1EGFR
SCHEMBL12963122 0.71 ABL1 (0.59) HDAC3NCOR1HDAC2CYP3A4ABL1
SCHEMBL4905848 0.71 MKNK1 (0.66) HDAC3NCOR1HDAC2CYP3A4ABL1
SCHEMBL2238435 0.70 CYP3A4 (0.44) EIF2AK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4902818 0.69 CCNT1 (0.71) EIF2AK2HDAC3HDAC2CYP1A2CYP3A4
SCHEMBL27549049 0.69 ABL1 (0.57) HDAC3NCOR1HDAC2ABL1BCR
SCHEMBL4895691 0.69 ABL1 (0.56) HDAC3NCOR1HDAC2CYP1A2CYP3A4
SCHEMBL12352616 0.69 HTR7 (0.68) SPRCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 EIF2AK2 276/4885SPR 3140/4885HDAC3 3837/4885

“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.