SCHEMBL521061

SCHEMBL521061

Nc1ccc2cnn(CCN3CCOCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
EGFR P00533 3/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MCHR1 Q99705 3/20 0.41
ADORA2A P29274 3/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA1 P30542 1/20 0.38
ILK Q13418 1/20 0.38
MCHR2 Q969V1 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
SCHEMBL520824 0.89 HDAC3 (0.54) HDAC3HDAC2EGFRKDM4EMAPT
SCHEMBL6069755 0.89 MCHR1 (0.47) HTR2AHTR2CHTR2BMCHR1CNR1
SCHEMBL18731897 0.83 KMO (0.56) HDAC3HDAC2EGFRKDM4EMAPT
SCHEMBL17673722 0.83 EGFR (0.56) HDAC3HDAC2EGFRMAPTHDAC1
SCHEMBL31513197 0.81 HDAC3 (0.52) HDAC3HDAC2EGFRKDM4EMAPT
SCHEMBL21026071 0.80 SIGMAR1 (0.48) HDAC3HDAC2EGFRHDAC1HTR2A
SCHEMBL30839556 0.80 P2RX7 (0.53) HDAC3HDAC2EGFRMAPTHDAC1
SCHEMBL30622498 0.79 HDAC3 (0.51) HDAC3HDAC2MAPTHDAC1MCHR1
SCHEMBL6069618 0.78 HTR2A (0.39) HDAC3HDAC2HTR2AHTR2CHTR2B
SCHEMBL521889 0.78 GLS (0.52) MAPTCNR1CNR2

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 HDAC3 841/4885HDAC2 1272/4885EGFR 1187/4885

“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.