SCHEMBL521037

SCHEMBL521037

COc1c(N)cccc1C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
HTR1F P30939 2/20 0.43
DRD2 P14416 1/20 0.41
QDPR P09417 1/20 0.39
HTR6 P50406 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28092534 0.87 HTR2C (0.43) HTR1DALOX5APFEN1HTR2C
SCHEMBL24753853 0.84 HTR1D (0.43) HTR1DHTR1BHTR1FDRD2QDPR
SCHEMBL30778342 0.84 HTR1D (0.43) HTR1DHTR1BHTR1FDRD2QDPR
SCHEMBL7065427 0.84 PARP1 (0.39) DRD2MEN1KMT2AALOX5APFEN1
SCHEMBL27416896 0.82 FEN1 (0.47) MEN1KMT2AALOX5APFEN1HTR2C
SCHEMBL22062953 0.81 MEN1 (0.46) HTR1DHTR1BHTR1FDRD2QDPR
SCHEMBL10819363 0.81 GRM2 (0.47) HTR1DHTR1BHTR1FDRD2QDPR
SCHEMBL27812820 0.81 HTR2C (0.58) HTR2C
SCHEMBL29253795 0.80 HTR1D (0.46) HTR1DHTR1BHTR1FDRD2HTR6
SCHEMBL21590258 0.80 ADRA2C (0.47) HTR1DHTR1BHTR1FHTR6HDAC3

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HTR1D 3024/4885HTR1B 2523/4885HTR1F 3368/4885

“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.