SCHEMBL15445593

SCHEMBL15445593

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AMY1A P0DUB6 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL15442436 0.91 MAOA (0.43) MAOAMAOBNPC1RAB9APKM
SCHEMBL20144337 0.90 NPBWR1 (0.44) MAOAMAOBNPC1RAB9APKM
SCHEMBL16283150 0.89 NPC1 (0.44) MAOAMAOBNPC1RAB9APKM
SCHEMBL15443081 0.73 ABL1 (0.51)
SCHEMBL15445610 0.68 HDAC3 (0.49)
SCHEMBL29848567 0.67 NR2E1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343040 0.64 NR2E1 (0.48) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL22394099 0.64 CYP1A2 (0.46) MAOAMAOBPSEN1PSEN2APH1B
SCHEMBL23049050 0.64 NPBWR1 (0.42) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL27985278 0.64 CYP1A2 (0.65) MAOAMAOBNPC1RAB9APSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
EP-2880038-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2018-05-16 EP disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
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
US-8859553-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2014-10-14 US disclosed
US-8859553-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2014-10-14 US disclosed
WO-2014019338-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2014-02-06 WO disclosed
US-20140031354-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-01-30 US disclosed
US-20140031354-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-01-30 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 (2 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 MAOA 4499/4885MAOB 4103/4885NPC1 2554/4885
US-20140031354-A1 Protein Kinase Inhibitors MAP3K1, MAP3K5, MAP3K7 MAOA 4362/4885MAOB 4212/4885NPC1 1544/4885

“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.