SCHEMBL520604

SCHEMBL520604

O=C(c1cccc(Nc2ncc3ccc(-c4cccc(Cl)c4)n3n2)c1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
INSR P06213 1/20 0.52
NTRK1 P04629 2/20 0.49
FLT3 P36888 2/20 0.47
KIT P10721 1/20 0.47
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 3/20 0.44
PDE4B Q07343 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL520000 0.92 JAK2 (0.65) JAK2INSRNTRK1FLT3KIT
SCHEMBL519947 0.90 JAK2 (0.52) JAK2INSRNTRK1NPC1ALDH1A1
SCHEMBL520595 0.85 JAK2 (0.70) JAK2INSRNTRK1ALDH1A1SMN1; SMN2
SCHEMBL520316 0.84 JAK2 (0.47) JAK2INSRPDE4BCCNT1CCNA2
SCHEMBL521605 0.83 JAK2 (0.64) JAK2INSRALDH1A1SMN1; SMN2CCNT1
SCHEMBL519524 0.83 JAK2 (0.66) JAK2INSRNTRK1CCNT1CDK1
SCHEMBL519064 0.82 INSR (0.68) JAK2INSRCYP3A4
SCHEMBL519317 0.82 ALK (0.56) JAK2INSRNTRK1KITCYP3A4
SCHEMBL520060 0.81 JAK2 (0.83) JAK2INSRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL519436 0.81 INSR (0.78) JAK2INSRCYP3A4PLK4

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 10 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 claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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 JAK2 1/4885INSR 1738/4885NTRK1 1464/4885

“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.