SCHEMBL1193541

SCHEMBL1193541

N=C(N)c1ncnc(Nc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.58
AURKA O14965 4/20 0.44
MAPT P10636 3/20 0.44
CDK2 P24941 3/20 0.44
PIM1 P11309 2/20 0.44
PDPK1 O15530 2/20 0.44
CDK1 P06493 2/20 0.44
LYN P07948 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR3 P22607 2/20 0.44
RPS6KB1 P23443 2/20 0.44
MARK3 P27448 2/20 0.44
RAB9A P51151 2/20 0.44
BLK P51451 2/20 0.44
RPS6KA3 P51812 2/20 0.44
ERBB4 Q15303 2/20 0.44
MARK2 Q7KZI7 2/20 0.44
PLK3 Q9H4B4 2/20 0.44
MAPK1 P28482 2/20 0.44
CHEK1 O14757 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
SCHEMBL795054 0.81 BCL6 (0.55) BCL6AURKAMAPTCDK2PIM1
SCHEMBL824411 0.78 BCL6 (0.74) BCL6AURKAMAPTCDK2PIM1
SCHEMBL795053 0.77 GAA (0.47) BCL6MAPTRAB9AMAPK1NPC1
SCHEMBL5137042 0.74 BCL6 (0.62) BCL6AURKAMAPTCDK2PIM1
SCHEMBL8908340 0.74 GAA (0.71) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL689928 0.74 BCL6 (1.00) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL30264199 0.74 BCL6 (1.00) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL2490900 0.73 BCL6 (0.96) BCL6AURKAMAPTCDK2PIM1
SCHEMBL14972606 0.73 BCL6 (0.71) BCL6AURKAMAPTCDK2PIM1
SCHEMBL21496120 0.72 BCL6 (0.65) BCL6MAPTCDK2PIM1KDM4E

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 6 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
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

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 BCL6 3371/4885AURKA 1920/4885MAPT 879/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 BCL6 3371/4885AURKA 1920/4885MAPT 879/4885
US-20060127487-A1 Antiviral compositions EIF2AK2, ZC3HAV1, RPL35 BCL6 3371/4885AURKA 1920/4885MAPT 879/4885

“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.