SCHEMBL1642722

SCHEMBL1642722

Clc1cncc(Nc2ccc3scnc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.50
▸ TRPM5 Q9NZQ8 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ RIPK2 O43353 12/20 0.43
▸ RIPK3 Q9Y572 3/20 0.42
▸ RIPK1 Q13546 2/20 0.42
▸ EGFR P00533 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ SYK P43405 2/20 0.40

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
SCHEMBL1640833 0.80 RIPK2 (0.52) RIPK2RIPK3RIPK1EGFRKDR
SCHEMBL1643065 0.77 KMT2A (0.59) CDK2
SCHEMBL13663570 0.77 JAK2 (0.46) TRPM5RIPK2RIPK3EGFRKDR
SCHEMBL2885798 0.71 CDK2 (0.73) CDK2EGFRKDR
SCHEMBL24588180 0.70 RIPK2 (0.56) TRPM5HSD11B1RIPK2RIPK3RIPK1
SCHEMBL1121971 0.69 CDK2 (0.70) CDK2EGFRKDR
SCHEMBL30574121 0.69 MAPT (0.62) CDK2
SCHEMBL6661698 0.68 CDK2 (0.69) CDK2SYK
SCHEMBL6302354 0.68 CDK2 (0.69) CDK2EGFRKDR
SCHEMBL10077411 0.68 HSD11B1 (0.50) TRPM5HSD11B1RIPK2RIPK3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671876-A2 Pyrazine derivatives and their use as protein kinase inhbitors Akinion Pharmaceuticals AB (SE) 2013-12-11 — — EP disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 — — US disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 — — US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 — — US disclosed
EP-2252597-A2 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF Akinion Pharmaceuticals AB (SE) 2010-11-24 — — EP disclosed
WO-2009095399-A2 PYRAZINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHBITORS AKINION PHARMACEUTICALS AB (SE) 2009-08-06 — — 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 (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-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 CDK2 93/4885TRPM5 1462/4885HSD11B1 3571/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 CDK2 93/4885TRPM5 1462/4885HSD11B1 3571/4885

“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.

Send feedback