SCHEMBL19684858

SCHEMBL19684858

CCCCOc1cnc(C)c2c1C(=O)NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.36
BRD4 O60885 1/20 0.36
PARP1 P09874 2/20 0.35
TRPM2 O94759 1/20 0.35
PTPN1 P18031 1/20 0.34
CDC7 O00311 1/20 0.33
EGFR P00533 1/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA2 Q15822 3/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP11 Q9NR21 3/20 0.33
LMNA P02545 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RIPK3 Q9Y572 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 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
SCHEMBL19679228 0.79 BRD4 (0.44) BRD4EGFRPARP10PARP11LMNA
SCHEMBL19684856 0.74 CHRM3 (0.38) CHRNB2CHRNA2CHRNA3CHRNA4CHRNB4
SCHEMBL19684924 0.71 PARP10 (0.41) PARP1TRPM2PTPN1CDC7PARP10
SCHEMBL7586205 0.70 PARP1 (0.65) PARP1TRPM2PARP10PARP11
SCHEMBL19684652 0.68 PARP1 (0.36) PARP1TRPM2PTPN1CDC7EGFR
SCHEMBL13178634 0.63 PDE3B (0.44) PARP1PARP10PARP11LMNA
SCHEMBL12969185 0.63 CYP1A2 (0.44) PARP1TRPM2
SCHEMBL19684895 0.62 FABP6 (0.35) LMNA
SCHEMBL19153427 0.61 PARP10 (0.57) PARP1PARP10PARP11
SCHEMBL31749979 0.61 PARP10 (0.41) LRRK2PARP1CDC7PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP LRRK2 3699/4885BRD4 2445/4885PARP1 37/4885

“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.