SCHEMBL2990306

SCHEMBL2990306

N#Cc1cnccc1-c1ccc(OCCN2CCC(N3CCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.57
PRKCD Q05655 2/20 0.57
HRH3 Q9Y5N1 11/20 0.54
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
BMPR1B O00238 1/20 0.46
PRKAB2 O43741 1/20 0.46
LCK P06239 1/20 0.46
YES1 P07947 1/20 0.46
THRB P10828 1/20 0.46
BMP4 P12644 1/20 0.46
SRC P12931 1/20 0.46
FLT1 P17948 1/20 0.46
EIF2AK2 P19525 1/20 0.46
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
BMPR1A P36894 1/20 0.46
ACVR1B P36896 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46

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
SCHEMBL2989450 0.91 PRKCQ (0.49) PRKCQPRKCDHRH3HRH2HRH1
SCHEMBL2981464 0.90 LTA4H (0.55) PRKCQPRKCDHRH3HRH2HRH1
SCHEMBL2975455 0.88 FLT1 (0.57) PRKCQPRKCDHRH3HRH2HRH1
SCHEMBL2984893 0.83 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL2990304 0.81 HRH3 (0.55) PRKCQPRKCDHRH3HRH2HRH1
SCHEMBL2981971 0.81 HRH3 (0.65) HRH3HRH2HRH1BMPR1BPRKAB2
SCHEMBL2975830 0.77 SLC6A2 (0.55) HRH3HRH1
SCHEMBL2984516 0.77 HRH3 (0.64) PRKCQPRKCDHRH3HRH2HRH1
SCHEMBL2974470 0.74 PRKCQ (0.81) PRKCQPRKCDLCK
SCHEMBL2985270 0.74 PRKCQ (1.00) PRKCQPRKCD

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-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 PRKCQ 165/4885PRKCD 323/4885HRH3 631/4885

“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.