SCHEMBL10172209

SCHEMBL10172209

Cc1c(Nc2ccnc3[nH]c4c(c23)CNCC4)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.43
DHODH Q02127 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
ERBB2 P04626 1/20 0.36
NCF1 P14598 1/20 0.34
PTK6 Q13882 1/20 0.34
AURKB Q96GD4 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
Hydrochloric Acid SCHEMBL408981 0.99 AURKA (0.42) AURKADHODHHDAC6TAS2R14ERBB2
SCHEMBL18117609 0.93 AURKA (0.39) AURKADHODHHDAC6TAS2R14ERBB2
SCHEMBL10171579 0.81 AURKA (0.50) AURKATAS2R14PTK6AURKB
Hydrochloric Acid SCHEMBL404425 0.80 AURKA (0.49) AURKATAS2R14PTK6AURKB
SCHEMBL407572 0.78 PTK6 (0.59) AURKAPTK6
Hydrochloric Acid SCHEMBL409150 0.78 PTK6 (0.58) AURKAPTK6
SCHEMBL405037 0.78 TAAR1 (0.44) AURKAERBB2PTK6TAAR1
SCHEMBL10172210 0.77 AURKA (0.43) AURKAERBB2PTK6AURKB
Hydrochloric Acid SCHEMBL409054 0.76 AURKA (0.43) AURKAERBB2PTK6TAAR1
SCHEMBL407996 0.76 AURKA (0.58) AURKAERBB2PTK6AURKBTAAR1

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
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 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 AURKA 515/4885DHODH 1676/4885HDAC6 621/4885

“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.