SCHEMBL14492004

SCHEMBL14492004

c1cncc(N(c2cccnc2)c2ccc(N(c3cccnc3)c3cccnc3)c3nc4ccccc4nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.40
CYP2A6 P11509 3/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
LDHA P00338 1/20 0.36
EPHX2 P34913 1/20 0.36
RAD52 P43351 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL14492006 0.83 CYP11B1 (0.39) KCNA5CYP2A6RAB9ANPC1KDM4E
SCHEMBL14099512 0.83 MAPT (0.42) RAB9ANPC1KDM4ESMN1; SMN2GAA
SCHEMBL14492017 0.82 KMT2A (0.40) KCNA5CYP2A6RAB9ANPC1KDM4E
SCHEMBL14099254 0.82
SCHEMBL14099531 0.81 SLC6A2 (0.38) RAB9ANPC1KDM4ESMN1; SMN2GAA
SCHEMBL3409704 0.76 CYP2A6 (0.50) KCNA5CYP2A6KDM4ESMN1; SMN2GAA
SCHEMBL14099252 0.74 MAPT (0.41) KCNA5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL6328963 0.74 KCNA5 (0.53) KCNA5CYP2A6KDM4ESMN1; SMN2GAA
SCHEMBL16484704 0.74 KCNA5 (0.53) KCNA5CYP2A6KDM4ESMN1; SMN2GAA
SCHEMBL2267716 0.74 CYP1A2 (0.36) KCNA5CYP2A6RAB9AKDM4EGAA

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
US-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 US disclosed
US-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 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-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNH2, SLC7A5, KCNH3 KCNA5 26/4885CYP2A6 4142/4885RAB9A 599/4885

“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.