SCHEMBL12294451

SCHEMBL12294451

CC(C)c1nc2cnc3c(C(C)C)cccc3c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
TNF P01375 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LITAF Q99732 1/20 0.33
KDM1A O60341 1/20 0.33
ADORA2B P29275 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 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
SCHEMBL12327986 0.86 RAB9A (0.42) LMNAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL19485959 0.84 LMNA (0.38) LMNAADRA2AADRA2BADRA2CTNF
SCHEMBL12294450 0.78 LMNA (0.41) LMNAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL15042847 0.74 LMNA (0.41) LMNAHPGDADRA2AADRA2BADRA2C
SCHEMBL12294488 0.72 ADORA3 (0.40) LMNAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL23192445 0.71 AXL (0.41) LMNAHSD17B10KDM4ECYP3A4
SCHEMBL19012503 0.70 LMNA (0.47) LMNAHPGDADRA2AADRA2BADRA2C
SCHEMBL13561542 0.70 CYP1A2 (0.40) LMNAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL12294456 0.70 SCN10A (0.39) LMNAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL12294463 0.69 KDM4E (0.44) LMNAHSD17B10KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 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 (3 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 LMNA 1245/4885HSD17B10 230/4885KDM4E 2635/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 705/4885HSD17B10 615/4885KDM4E 2910/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S LMNA 261/4885HSD17B10 980/4885KDM4E 3580/4885

“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.