SCHEMBL2379693

SCHEMBL2379693

CNC(=O)c1ccnc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.49
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC2 Q92769 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL2997220 0.81 KDM4E (0.55) TDP1KDM5AHTT
SCHEMBL26415629 0.79 PLK1 (0.50) PLK1HDAC8HDAC6HDAC2TDP1
SCHEMBL8566224 0.79 PLK1 (0.50) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL20888398 0.79 PLK1 (0.46) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL22945804 0.79 MEN1 (0.42) KDM5AKDM4CKDM5B
SCHEMBL22627253 0.78 PLK1 (0.49) PLK1HDAC8HDAC6HDAC2TDP1
SCHEMBL22612088 0.78 PLK1 (0.49) PLK1HDAC8HDAC6HDAC2TDP1
SCHEMBL5743063 0.78 TAS1R3 (0.55) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL12900868 0.78 GABRP (0.61) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL3952413 0.78 KDM4E (0.60) KDM5AKDM4CKDM5BHPGDTSHR

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
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 — — US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 — — EP disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 — — CN disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 — — WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 — — 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 (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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK PLK1 531/4885HDAC8 3450/4885HDAC6 1687/4885

“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.

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