SCHEMBL4307476

SCHEMBL4307476

CN(C(=O)O)C1CCN(c2nc(Cl)ncc2C2CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 3/20 0.35
ABL1 P00519 7/20 0.35
BCR P11274 7/20 0.35
NEK2 P51955 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 2/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
RORC P51449 1/20 0.33
JAK3 P52333 1/20 0.32

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
SCHEMBL27912561 0.85 PDE10A (0.44) HCRTR2ABL1BCRJAK3
SCHEMBL16209160 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HCRTR2ABL1BCRMAPT
SCHEMBL4304308 0.84 ABL1 (0.52) SMN1; SMN2HCRTR2ABL1BCROPRK1
SCHEMBL1018117 0.80 CNR2 (0.39) SMN1; SMN2HCRTR2ABL1BCRNEK2
SCHEMBL4304300 0.79 F10 (0.39) HCRTR2ABL1BCRMAPT
SCHEMBL4307471 0.75 CKS1B (0.41)
SCHEMBL14812129 0.75 MAP4K4 (0.37) OPRK1OPRM1OPRD1OGFRL1JAK3
SCHEMBL3650736 0.74 TRPV1 (0.46) OPRD1JAK3
SCHEMBL4304311 0.74 JAK3 (0.36) OPRK1POLBOPRM1OPRD1OGFRL1
SCHEMBL1018116 0.73 ABL1 (0.39) SMN1; SMN2HCRTR2ABL1BCRNEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (2 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 SMN1; SMN2 4561/4885HCRTR2 4736/4885ABL1 16/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SMN1; SMN2 4561/4885HCRTR2 4736/4885ABL1 16/4885

“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.