SCHEMBL519374

SCHEMBL519374

CC(=O)Nc1cc(N)ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.44
CLK1 P49759 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL26607481 0.86 NPC1 (0.48) ALDH1A1GAATDP1NPC1CLK1
SCHEMBL5495378 0.83 PTPN1 (0.44) ALDH1A1MAPTCYP2C19NR1H4RAF1
SCHEMBL5491187 0.81 GPR35 (0.42) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL7217379 0.81 ALDH1A1 (0.47) ALDH1A1GAATDP1NPC1POLB
SCHEMBL7218067 0.81 ALDH1A1 (0.56) ALDH1A1GAATDP1NPC1CA1
SCHEMBL8966015 0.80 NPC1 (0.54) ALDH1A1GAANPC1CLK1HDAC3
SCHEMBL17378848 0.79 GAA (0.46) ALDH1A1GAATDP1NPC1HDAC3
SCHEMBL7224039 0.79 KDM4E (0.54) ALDH1A1GAATDP1HDAC1POLB
SCHEMBL3141594 0.79 MAPT (0.40) ALDH1A1TDP1CA1CA2POLB
SCHEMBL1708819 0.78 HDAC1 (0.62) ALDH1A1GAATDP1NPC1CLK1

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 7 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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 ALDH1A1 779/4885GAA 3085/4885TDP1 1698/4885

“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.