SCHEMBL520153

SCHEMBL520153

COc1cc(N2CCC(N(C)CCO)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.46
▸ LGMN Q99538 2/20 0.39
▸ DPP4 P27487 3/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ CCR1 P32246 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK6 Q00534 1/20 0.35

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
SCHEMBL10206172 0.89 ACVR1 (0.43) CCR4LGMNDPP4CYP2D6HRH1
SCHEMBL10205919 0.88 CYP2D6 (0.40) CCR4LGMNDPP4CYP2D6HRH1
SCHEMBL10206639 0.87 DPP4 (0.39) CCR4LGMNDPP4SUV39H2ALDH1A1
SCHEMBL10206184 0.86 DPP4 (0.39) CCR4LGMNDPP4CYP2D6HRH1
SCHEMBL19288646 0.86 DPP4 (0.36) CCR4LGMNDPP4SUV39H2ALDH1A1
SCHEMBL310055 0.83 SUV39H2 (0.45) DPP4SUV39H2ALDH1A1ALK
SCHEMBL29661369 0.83 SUV39H2 (0.45) DPP4SUV39H2ALDH1A1ALK
Hydrochloric Acid SCHEMBL29367159 0.82 SUV39H2 (0.44) DPP4SUV39H2ALDH1A1ALK
SCHEMBL17059586 0.80 DPP4 (0.43) LGMNDPP4CCR1ALDH1A1HTR4
SCHEMBL1911948 0.80 SUV39H2 (0.46) LGMNDPP4SUV39H2ALDH1A1HTR4

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 6 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
WO-2012085126-A1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — WO 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 CCR4 1913/4885LGMN 4884/4885DPP4 1468/4885

“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.

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