SCHEMBL2812893

SCHEMBL2812893

COc1ccc(CN2CCC3NN(C)c4nc(NCCc5c[nH]c6ccccc56)nc2c43)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR18 Q14330 1/20 0.49
CDK2 P24941 2/20 0.47
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
DRD2 P14416 7/20 0.46
DRD3 P35462 1/20 0.46
EIF2AK2 P19525 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HTR1A P08908 7/20 0.44
HTR2A P28223 6/20 0.44
HTR7 P34969 6/20 0.44
HTR6 P50406 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2812158 0.91 CDK2 (0.46) GPR18CDK2CCNE2CCNE1DRD2
SCHEMBL2808067 0.89 GPR18 (0.38) GPR18CDK2CCNE2CCNE1DRD2
SCHEMBL2808403 0.87 CDK2 (0.47) GPR18CDK2CCNE2CCNE1DRD2
SCHEMBL2814492 0.86 TSHR (0.37) HRH3MEN1KMT2AMAPTNPC1
SCHEMBL2810912 0.84 ADORA3 (0.42) MEN1KMT2AMAPTPOLB
SCHEMBL2809955 0.83 MAPT (0.37) MEN1KMT2AMAPTPOLB
SCHEMBL2812032 0.83 PDE5A (0.38) MEN1KMT2AMAPTPOLB
SCHEMBL2812459 0.82 HRH3 (0.39) HRH3MEN1KMT2AMAPT
SCHEMBL2809538 0.82 EHMT2 (0.41) DRD2DRD3HRH3HTR1AHTR2A
SCHEMBL2812798 0.82 ACHE (0.46) MEN1KMT2A

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 GPR18 3294/4885CDK2 8/4885CCNE2 381/4885

“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.