SCHEMBL10201352

SCHEMBL10201352

Oc1ccc(Nc2ncccn2)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
KLF5 Q13887 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PIM1 P11309 2/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL10201353 0.75 EGFR (0.47) KMT2ANPC1RAB9ALMNAMEN1
SCHEMBL10200594 0.67 PDE4B (0.41) HTTALDH1A1PIM1JAK2TYK2
SCHEMBL1702196 0.67 NCF1 (0.57) KMT2ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL10201100 0.67 HCAR3 (0.39) KMT2ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL10112725 0.66 EGFR (0.45) KMT2ANPC1RAB9ALMNAMEN1
SCHEMBL7947652 0.66 HCAR3 (0.41) KMT2ALMNATP53ALOX15TDP1
SCHEMBL9033586 0.66 PEPD (0.38) KMT2ANPC1RAB9AKDM4ETDP1
SCHEMBL29960658 0.65
SCHEMBL66814 0.65
SCHEMBL10263801 0.64 EP300 (0.41) HTTALOX15MCL1ADRA1A

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 KMT2A 4253/4885NPC1 519/4885SMN1; SMN2 2209/4885

“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.