SCHEMBL17005771

SCHEMBL17005771

NC(=O)c1cnc(Nc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.62
OPRK1 P41145 6/20 0.62
OPRD1 P41143 6/20 0.62
SYK P43405 2/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
ABCB1 P08183 1/20 0.47
NOD1 Q9Y239 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TNF P01375 2/20 0.45
NOD2 Q9HC29 2/20 0.45

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
SCHEMBL17005802 0.83 SYK (0.63) OPRM1OPRK1OPRD1SYK
SCHEMBL17005759 0.81 SYK (0.55) SYK
SCHEMBL3694156 0.77 OPRM1 (1.00) OPRM1OPRK1OPRD1ABCB1
SCHEMBL18351928 0.76 SYK (1.00) SYK
SCHEMBL18351929 0.76 SYK (1.00) SYK
SCHEMBL17005763 0.76 SYK (0.63) SYK
SCHEMBL18351855 0.76 SYK (0.63) SYK
SCHEMBL17005748 0.75 SYK (0.61) SYKKMT2A
SCHEMBL17005803 0.74 SYK (0.63) SYKSMN1; SMN2
SCHEMBL17005751 0.74 SYK (0.64) SYKKMT2A

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-9533989-B2 Substituted pyrimidine-5-carboxamides as spleen tyrosine kinase inhibitors Ziarco Pharma Ltd. (GB) 2017-01-03 US disclosed
US-20150232470-A1 2-(-Aminocyclohexyl)Amino-Pyrimidine-5-Carboxamides as Spleen Tyrosine Kinasei(SYK) Inhibitors PFIZER LIMITED (GB) 2015-08-20 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-20150232470-A1 2-(-Aminocyclohexyl)Amino-Pyrimidine-5-Carboxamides as Spleen Tyrosine Kinasei(SYK) Inhibitors SYK, BTK, LCK OPRM1 3934/4885OPRK1 2013/4885OPRD1 2942/4885

“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.