SCHEMBL5456431

SCHEMBL5456431

COc1ccc2nc(N)n(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NCF1 P14598 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL5456024 0.86 ALDH1A1 (0.57) CYP1A2CYP3A4CYP2C19NCF1ALDH1A1
SCHEMBL13035828 0.81 ALDH1A1 (0.56) ALDH1A1HTTPOLBPDE2APDE3B
SCHEMBL13541756 0.81 CXCL8 (0.40) NCF1ALDH1A1PDE2APDE3BPDE3A
SCHEMBL17582786 0.80 NCF1 (0.46) CYP1A2CYP3A4CYP2C19NCF1ALDH1A1
SCHEMBL14112985 0.79 PDE3B (0.46) NCF1ALDH1A1HTTPOLBPDE2A
SCHEMBL13604063 0.79 SMN1; SMN2 (0.50) NCF1ALDH1A1HTTPDE2APDE3B
SCHEMBL18965901 0.78 KDM4E (0.43) ALDH1A1HTTPOLBHPGDMEN1
SCHEMBL13541754 0.77 ACSS2 (0.49) ALDH1A1PDE2APDE3BPDE3ACA2
SCHEMBL4650051 0.77 MTNR1A (0.56) ALDH1A1HTTPOLBPDE2APDE3B
SCHEMBL979518 0.77 TLR8 (0.58) ALDH1A1HTTPDE2APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274251-A1 POLYCYCLIC COMPOUND FOR INHIBITING RNA HELICASE DHX33, AND APPLICATION OF COMPOUND 深圳开悦生命科技有限公司 2023-01-05 WO disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CYP1A2 9/4885CYP3A4 7/4885CYP2C19 1/4885

“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.