SCHEMBL3431925

SCHEMBL3431925

Nc1cc(Nc2ccccc2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
SCN9A Q15858 1/20 0.57
CYP2D6 P10635 4/20 0.54
CYP1A2 P05177 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 3/20 0.54
MAPK1 P28482 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL414719 0.87 MEN1 (0.70) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL30046349 0.85 SCN9A (0.76) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL28038743 0.82 CDK5 (0.58) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL691596 0.82 MEN1 (0.67) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL690592 0.81 EGFR (0.55) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL13064955 0.81 CDK5 (0.61) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL374096 0.81 CDK5 (0.61) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL374472 0.80 EGFR (0.64) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL8798667 0.80 EGFR (0.61) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL857502 0.78 NPC1 (0.63) CDK2MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073361-B Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2024-04-12 CN disclosed
CN-115073361-A Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2022-09-20 CN 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
EP-1225874-B1 ANTIVIRAL SOLID DISPERSIONS JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 EP disclosed
CN-1234347-C Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2006-01-04 CN disclosed
CN-1376057-A Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2002-10-23 CN 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 (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-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 CDK1 1528/4885CCNB1 2521/4885CCNA2 2546/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 CDK1 1528/4885CCNB1 2521/4885CCNA2 2546/4885

“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.