SCHEMBL4567243

SCHEMBL4567243

CCOC(=O)C(C#N)C(=O)c1ccnc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3653287 0.80 KMT2A (0.41) KMT2AGAASMN1; SMN2MEN1CDC7
SCHEMBL12228832 0.76 CYP1A2 (0.59) KMT2AGAASMN1; SMN2MEN1CDC7
SCHEMBL6745369 0.72 LMNA (0.54) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL4567228 0.70 CDC7 (0.33) CDC7DBF4POLBXDH
SCHEMBL4183368 0.70 NPC1 (0.44) KMT2AGAASMN1; SMN2MEN1CDC7
SCHEMBL12997993 0.69 MEN1 (0.51) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL9705616 0.68 MEN1 (0.45) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL2034194 0.68 TLR8 (0.44) CDC7DBF4KDM4E
SCHEMBL30086177 0.67 POLB (0.39) CDC7DBF4KDM4EPOLB
SCHEMBL6745367 0.67 MEN1 (0.40) KMT2AGAASMN1; SMN2MEN1ALDH1A1

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
US-8426417-B2 Substituted pyrrolo-pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-04-23 US disclosed
US-8426417-B2 Substituted pyrrolo-pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-04-23 US disclosed
EP-2203442-B1 SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-06-20 EP disclosed
US-20120122882-A1 Substituted Pyrrolo-Pyrimidine Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-17 US disclosed
US-20120122882-A1 Substituted Pyrrolo-Pyrimidine Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-17 US disclosed
WO-2009040399-A1 SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-02 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-20120122882-A1 Substituted Pyrrolo-Pyrimidine Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors DCK, MAP3K19, MAP3K5 KMT2A 1912/4885GAA 2095/4885SMN1; SMN2 3080/4885

“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.