SCHEMBL17818396

SCHEMBL17818396

CN(C)C=Nc1ncnc2[nH]cc(I)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
LRRK2 Q5S007 4/20 0.34
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
GAA P10253 1/20 0.31
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30

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
SCHEMBL30446958 1.00 CHEK1 (0.47) CHEK1TRPA1KDM4EALOX15RECQL
SCHEMBL16254854 1.00 CHEK1 (0.47) CHEK1TRPA1KDM4EALOX15RECQL
SCHEMBL17818395 1.00 CHEK1 (0.47) CHEK1TRPA1KDM4EALOX15RECQL
SCHEMBL20162807 0.73 LRRK2 (0.38) CHEK1KDM4ELRRK2NPC1RAB9A
SCHEMBL30538117 0.73 LRRK2 (0.38) CHEK1KDM4ELRRK2NPC1RAB9A
SCHEMBL20162808 0.73 LRRK2 (0.38) CHEK1KDM4ELRRK2NPC1RAB9A
SCHEMBL20162824 0.72 LRRK2 (0.39) CHEK1LRRK2MAP3K7TAB1IRAK4
SCHEMBL20162827 0.72 LRRK2 (0.39) CHEK1LRRK2MAP3K7TAB1IRAK4
SCHEMBL20173295 0.72 LRRK2 (0.39) CHEK1LRRK2MAP3K7TAB1IRAK4
SCHEMBL20162890 0.72 LRRK2 (0.46) CHEK1LRRK2IRAK4STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 CHEK1 319/4885TRPA1 4815/4885KDM4E 996/4885

“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.