SCHEMBL4900903

SCHEMBL4900903

COc1ccccc1-c1ccc(Nc2cccc(-c3cnccn3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.41
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NR4A1 P22736 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C19 P33261 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
KARS1 Q15046 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL3128901 0.83 KDM4E (0.43) WNT3AHSD17B10ADORA3PDGFRBPDGFRA
SCHEMBL4899168 0.81 KARS1 (0.43) KARS1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4899792 0.81 CYP1A2 (0.41) WNT3AADORA3PDGFRBPDGFRACYP1A2
SCHEMBL4902879 0.79 KARS1 (0.52) ALDH1A1CYP1A2CYP3A4KARS1NPC1
SCHEMBL4901969 0.76 KARS1 (0.40) ALDH1A1HPGDKDM4EKARS1NPC1
Hydrochloric Acid SCHEMBL27662763 0.75 KARS1 (0.47) ALDH1A1POLBCYP3A4KDM4EKARS1
SCHEMBL4900004 0.75 KARS1 (0.43) WNT3AKARS1FYN
SCHEMBL4892104 0.75 CYP2E1 (0.41) HSD17B10ALDH1A1HPGDCYP3A4KDM4E
SCHEMBL4901121 0.75 KARS1 (0.41) WNT3AHSD17B10ALDH1A1POLBHPGD
SCHEMBL4902892 0.74 KARS1 (0.40) HSD17B10ALDH1A1POLBHPGDADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 WNT3A 4254/4885HSD17B10 3953/4885ALDH1A1 3179/4885

“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.