SCHEMBL1621733

SCHEMBL1621733

O=C(Nc1nc2ccc(Br)cc2s1)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.75
MAOB P27338 1/20 0.75
NPC1 O15118 8/20 0.73
RAB9A P51151 8/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GFER P55789 1/20 0.73
ALDH1A1 P00352 2/20 0.67
CLK1 P49759 1/20 0.67
LMNA P02545 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 2/20 0.64
DYRK1A Q13627 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63

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
SCHEMBL3525897 0.93 CASP3 (0.71) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL31472543 0.85 RAB9A (0.62) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL25645566 0.85 RAB9A (0.62) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944371 0.85 CYP2C19 (0.61) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28529433 0.85 CASP3 (0.88) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL27310299 0.85 RAB9A (0.64) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944295 0.85 CASP3 (0.88) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL31420300 0.84 RAB9A (0.60) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30248309 0.83 CYP2C19 (0.55) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30248193 0.83 CYP2C19 (0.55) MAOAMAOBNPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B MAOA 1451/4885MAOB 1555/4885NPC1 2720/4885

“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.