SCHEMBL408109

SCHEMBL408109

O=C(c1cccc(Cl)c1)N1CCc2[nH]c3nccc(Nc4ccccc4)c3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.47
PTK6 Q13882 3/20 0.47
AURKA O14965 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
GRM5 P41594 2/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDGFRB P09619 1/20 0.41
MAPK13 O15264 1/20 0.40
CHEK2 O96017 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT4 P35916 1/20 0.40
LIMK1 P53667 1/20 0.40
SIK1 P57059 1/20 0.40
TNK2 Q07912 1/20 0.40
AURKB Q96GD4 1/20 0.40
WNK3 Q9BYP7 1/20 0.40

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
SCHEMBL408492 0.93 AURKA (0.56) AURKAMAPK13CHEK2NTRK1RET
SCHEMBL407681 0.88 NPC1 (0.52) ERBB2PTK6AURKAALDH1A1
SCHEMBL406603 0.84 AURKA (0.50) AURKAAURKB
SCHEMBL3707014 0.84 AURKA (0.49) ERBB2PTK6AURKAMAPK13CHEK2
SCHEMBL409485 0.82 CREBBP (0.57) AURKA
SCHEMBL404730 0.79 ERBB2 (0.47) ERBB2PTK6AURKAALDH1A1
SCHEMBL10139772 0.78 AURKA (0.62) AURKAMAPK13CHEK2NTRK1RET
SCHEMBL10139838 0.77 BAZ2B (0.50) PTGDR2GRM5PKM
Hydrochloric Acid SCHEMBL408386 0.76 BAZ2B (0.49) PTGDR2GRM5PKM
SCHEMBL404193 0.76 ACVRL1 (0.47) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US claimed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US claimed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA ERBB2 373/4885PTK6 401/4885AURKA 515/4885

“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.