SCHEMBL16820587

SCHEMBL16820587

c1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.61
SYK P43405 5/20 0.59
CD63 P08962 2/20 0.59
MAPKAPK5 Q8IW41 11/20 0.56
NTRK1 P04629 2/20 0.55
JAK2 O60674 1/20 0.55
ROS1 P08922 1/20 0.55
CSNK2A2 P19784 1/20 0.55
FLT3 P36888 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
BTK Q06187 1/20 0.55
PTK6 Q13882 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
FYN P06241 1/20 0.52
ABL1 P00519 1/20 0.51
YES1 P07947 1/20 0.51
KDR P35968 1/20 0.51
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50

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
SCHEMBL27359522 0.85 ADRB2 (0.47) AURKASYKCD63MAPKAPK5NTRK1
SCHEMBL20005722 0.84 AURKA (0.65) AURKASYKCD63NTRK1JAK2
SCHEMBL2482275 0.83 AURKA (0.79) AURKASYKCD63NTRK1JAK2
SCHEMBL23911850 0.80 AURKA (0.81) AURKASYKCD63NTRK1JAK2
SCHEMBL11939508 0.80 MAPKAPK5 (0.61) AURKAMAPKAPK5NTRK1FYNABL1
SCHEMBL18472053 0.80 AURKA (0.61) AURKASYKCD63MAPKAPK5NTRK1
SCHEMBL1673999 0.80 MAPKAPK5 (0.67) AURKASYKCD63MAPKAPK5FYN
SCHEMBL5574908 0.79 MAPKAPK5 (0.65) AURKASYKCD63MAPKAPK5FYN
SCHEMBL5571657 0.78 MAPKAPK5 (0.72) AURKASYKCD63MAPKAPK5JAK2
SCHEMBL2482747 0.78 AURKA (0.77) AURKASYKCD63NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931338-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-04-03 US disclosed
US-20170035755-A1 SYK INHIBITORS Kronos Bio, Inc. 2017-02-09 US disclosed
US-9290505-B2 Substituted imidazo[1,2-a]pyrazines as Syk inhibitors GILEAD SCIENCES, INC. (US) 2016-03-22 US disclosed
US-20150175616-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-06-25 US 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 (2 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-20170035755-A1 SYK INHIBITORS SYK, BTK, LYN AURKA 295/4885SYK 1/4885CD63 2809/4885
US-20150175616-A1 SYK INHIBITORS SYK, BTK, LYN AURKA 711/4885SYK 1/4885CD63 2113/4885

“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.