SCHEMBL9913747

SCHEMBL9913747

CCCCNc1nc(NC)nc(NCC)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 1/20 0.47
SLC29A1 Q99808 1/20 0.46
KCNH3 Q9ULD8 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL14869373 0.94 SLC29A1 (0.50) CYP1A2CYP2C19SLC29A1KCNH3KMT2A
SCHEMBL9913723 0.94 SLC29A1 (0.50) CYP1A2CYP2C19SLC29A1KCNH3KMT2A
SCHEMBL24433634 0.92 LMNA (0.50) CYP1A2CYP2C19LMNAKCNH3KMT2A
SCHEMBL9913716 0.92 CYP1A2 (0.57) CYP1A2CYP2C19LMNASLC29A1KCNH3
SCHEMBL14869524 0.88 KCNH3 (0.56) CYP1A2CYP2C19SLC29A1KCNH3KMT2A
SCHEMBL17563606 0.87 LMNA (0.54) CYP1A2CYP2C19LMNAKMT2ACA1
SCHEMBL14869427 0.86 SLC29A1 (0.45) LMNASLC29A1KCNH3KMT2ACA1
SCHEMBL2784348 0.86 KMT2A (0.59) CYP1A2CYP2C19LMNASLC29A1KCNH3
SCHEMBL2784426 0.85 SLC29A1 (0.57) CYP1A2CYP2C19SLC29A1KCNH3KMT2A
SCHEMBL14869406 0.85 LMNA (0.61) CYP1A2CYP2C19LMNAKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562864-A1 Proton-conducting polymer Nippon Steel Chemical Co., Ltd. (JP) 2013-02-27 EP disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 CYP1A2 2994/4885CYP2C19 704/4885LMNA 1956/4885

“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.