SCHEMBL4476417

SCHEMBL4476417

FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
METAP1 P53582 1/20 0.53
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.47
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 1/20 0.44
MDM2 Q00987 1/20 0.44
MAP3K12 Q12852 1/20 0.43
CCR6 P51684 1/20 0.43
GRM5 P41594 1/20 0.43
TRPV1 Q8NER1 4/20 0.42
MAPK3 P27361 1/20 0.42
GPR39 O43194 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4479110 0.81 SLC2A1 (0.58) KMT2AMETAP1KDM4ENPC1RAB9A
SCHEMBL2819282 0.79 NPC1 (0.49) METAP1NPC1RAB9ANPY5RCCR6
SCHEMBL22599687 0.78 METAP1 (0.48) KMT2AMETAP1KDM4ENPC1RAB9A
SCHEMBL30000742 0.78 METAP1 (0.48) KMT2AMETAP1KDM4ENPC1RAB9A
SCHEMBL4479894 0.77 METAP1 (0.78) KMT2AMETAP1KDM4ENPC1RAB9A
SCHEMBL6368472 0.77 NPY5R (0.72) KMT2AKDM4ENPC1RAB9ASLC2A1
SCHEMBL30745709 0.77 NPY5R (0.72) KMT2AKDM4ENPC1RAB9ASLC2A1
SCHEMBL4769157 0.76 METAP1 (0.59) KMT2AMETAP1KDM4ENPC1RAB9A
SCHEMBL5477051 0.75 KMT2A (0.83) KMT2AKDM4ECYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2821153 0.75 TRPM8 (0.57) KMT2AMETAP1KDM4EALDH1A1SMN1; SMN2

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-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 KMT2A 908/4885METAP1 3862/4885KDM4E 1336/4885

“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.