SCHEMBL16283150

SCHEMBL16283150

Cc1cn(-c2ccc3[nH]c(-c4ccc(N)c(I)c4)nc3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 6/20 0.44
PKM P14618 5/20 0.44
HPGD P15428 5/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 4/20 0.36
GAA P10253 2/20 0.36
GLA P06280 2/20 0.36
GFER P55789 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36

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
SCHEMBL15445593 0.89 MAOA (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20144337 0.83 NPBWR1 (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15442436 0.80 MAOA (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15442444 0.70 NR2E1 (0.49) SMN1; SMN2MAOAMAOBNR2E1TP53
SCHEMBL29848567 0.69 NR2E1 (0.61) NR2E1FLT3
SCHEMBL9701793 0.68 NR2E1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13528291 0.67 SMN1; SMN2 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1551571 0.66 ALDH1A1 (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3343040 0.66 NR2E1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16283149 0.65 MAPK13 (0.44) MAPTGAANR2E1MAPK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 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-20140364436-A1 Protein Kinase Inhibitors MAP3K9, MAP3K6, MAP3K8 NPC1 2554/4885RAB9A 894/4885KDM4E 783/4885

“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.