SCHEMBL521852

SCHEMBL521852

CSc1ncc2ccc(-c3ccccc3C(F)(F)F)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
HSD11B1 P28845 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
CYP3A4 P08684 6/20 0.36
CYP2C19 P33261 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2D6 P10635 3/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL521590 0.83 EGLN2 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2JAK2
SCHEMBL522467 0.81 JAK2 (0.44) HSD11B1JAK2CYP3A4
SCHEMBL520259 0.80 EGLN2 (0.40) AURKAKDRAURKBHSD11B1ALDH1A1
SCHEMBL519978 0.80 MAPK1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2JAK2
SCHEMBL521486 0.80 JAK2 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2JAK2
SCHEMBL520446 0.79 JAK2 (0.57) JAK2CYP3A4
SCHEMBL520890 0.78 HSD11B1 (0.37) HSD11B1ALDH1A1JAK2CYP3A4CYP2C19
SCHEMBL521115 0.77 ALK (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2JAK2
SCHEMBL519714 0.76 KDM4E (0.52) AURKAKDRAURKBALDH1A1KDM4E
SCHEMBL520503 0.76 INSR (0.42) KDRALDH1A1KDM4EHPGDSMN1; SMN2

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 AURKA 451/4885KDR 527/4885AURKB 520/4885

“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.