Sugi Predict

Sugi Predict / Compounds / SCHEMBL21516

SCHEMBL21516

SCHEMBL21516

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nccn2nc(Nc3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.62
▸ JAK2 O60674 1/20 0.51
▸ INSR P06213 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ TEC P42680 1/20 0.51
▸ TXK P42681 1/20 0.51
▸ MAPKAPK2 P49137 1/20 0.51
▸ BMX P51813 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ ITK Q08881 1/20 0.51
▸ MAPKAPK3 Q16644 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 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
SCHEMBL20850 0.89 RAF1 (0.57) BTK
SCHEMBL16353753 0.83 BTK (0.83) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL21001 0.82 BTK (0.56) BTKJAK2JAK3MAPT
SCHEMBL16346978 0.81 BTK (0.85) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL20394 0.80 JAK3 (0.57) JAK2INSRSRCFLT3JAK3
SCHEMBL16375078 0.78 BTK (0.80) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL12651776 0.78 BTK (0.84) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL16353551 0.76 BTK (0.74) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL1069131 0.75 BTK (0.84) BTK
SCHEMBL16343935 0.75 BTK (0.77) BTKJAK2INSRIGF1RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 — — EP claimed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 — — US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 — — US claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 — — EP disclosed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 — — EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 — — US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 — — US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 — — EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 — — WO disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 — — 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 BTK 7/4885JAK2 5/4885INSR 527/4885

“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.