SCHEMBL1194281

SCHEMBL1194281

CCCCCNc1cc(C)nc(NCCCCC)n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 10/20 0.78
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 2/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TLR8 Q9NR97 1/20 0.61
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
KCNH3 Q9ULD8 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13329945 0.98 DNM2 (0.81) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13329946 0.98 DNM2 (0.81) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13329951 0.95 DNM2 (0.77) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL16608857 0.95 ALDH1A1 (0.73) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL25474229 0.89 DNM2 (1.00) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL16608745 0.87 DNM2 (0.61) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL9589312 0.83 DNM2 (0.63) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13329947 0.83 LMNA (0.83) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13309799 0.83 TLR8 (0.61) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13309816 0.83 TLR8 (0.61) DNM2ALDH1A1MAPK1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 US disclosed
EP-1648524-B1 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA HOLDING INC (CH) 2009-01-14 EP disclosed
US-20070196478-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2007-08-23 US disclosed
US-7241458-B1 Antiviral compositions JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060127487-A1 Antiviral compositions VERRECK GEERT 2006-06-15 US disclosed
EP-1225874-B1 ANTIVIRAL SOLID DISPERSIONS JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 EP disclosed
EP-1225874-A1 ANTIVIRAL COMPOSITIONS Janssen Pharmaceutica N.V. (BE) 2002-07-31 EP disclosed
WO-2001022938-A1 ANTIVIRAL COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-04-05 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 (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-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 DNM2 800/4885ALDH1A1 3865/4885MAPK1 3898/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 DNM2 800/4885ALDH1A1 3865/4885MAPK1 3898/4885
US-20060127487-A1 Antiviral compositions EIF2AK2, ZC3HAV1, RPL35 DNM2 800/4885ALDH1A1 3865/4885MAPK1 3898/4885

“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.