SCHEMBL3283228

SCHEMBL3283228

Cc1cccc(C(=O)Cc2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
VNN1 O95497 1/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
IDO1 P14902 1/20 0.48
SYK P43405 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
F2 P00734 1/20 0.45
F12 P00748 1/20 0.45

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
SCHEMBL11633917 0.89 RAB9A (0.66) RAB9ANPC1VNN1KMT2AMEN1
SCHEMBL29017606 0.84 RAB9A (0.73) RAB9ANPC1KMT2AIDO1SMN1; SMN2
SCHEMBL28408612 0.83 RAB9A (0.71) RAB9ANPC1KMT2AMEN1IDO1
SCHEMBL27517630 0.82 NT5E (0.47) RAB9ANPC1VNN1KMT2AMEN1
SCHEMBL2051943 0.82 RAB9A (0.75) RAB9ANPC1KMT2AMEN1IDO1
SCHEMBL6011931 0.82 RAB9A (0.75) RAB9ANPC1KMT2AMEN1IDO1
SCHEMBL30333799 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1IDO1
SCHEMBL29986829 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1IDO1
Hydrochloric Acid SCHEMBL11622188 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1IDO1
SCHEMBL28172864 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 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 (3 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 RAB9A 1642/4885NPC1 3194/4885VNN1 2161/4885
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R RAB9A 684/4885NPC1 288/4885VNN1 4829/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 RAB9A 1642/4885NPC1 3194/4885VNN1 2161/4885

“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.