SCHEMBL13738007

SCHEMBL13738007

c1cc2c(ncn3cnnc23)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.47
JAK2 O60674 16/20 0.47
TYK2 P29597 15/20 0.47
JAK3 P52333 14/20 0.47
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALPG P10696 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCI P41743 2/20 0.42
AXL P30530 1/20 0.42

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
SCHEMBL13738710 0.66 PRKCI (0.43) JAK1JAK2TYK2JAK3PRKCI
SCHEMBL3787340 0.64 HTT (0.49) JAK2JAK3KDM4EMEN1CYP1A2
SCHEMBL13737660 0.64 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL31212696 0.63 CYP1A2 (0.44) KDM4EMEN1CYP1A2ALPGKMT2A
SCHEMBL23505912 0.62 PRKCI (0.43) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL16664208 0.60 HTT (0.49) KDM4EMEN1CYP1A2ALPGKMT2A
SCHEMBL12612922 0.59 PRKCI (0.40) JAK1JAK2JAK3PRKCIAXL
SCHEMBL31038794 0.58 CYP1A2 (0.36) KDM4EMEN1CYP1A2ALPGKMT2A
SCHEMBL1504325 0.58 PRKCI (0.52) JAK1JAK2TYK2JAK3PRKCI
SCHEMBL2240671 0.58 AURKB (0.71) JAK2JAK3PRKCIAXL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120330012-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
WO-2012149280-A2 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2012-11-01 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-20120330012-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 JAK1 1096/4885JAK2 346/4885TYK2 2276/4885

“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.