SCHEMBL2933133

SCHEMBL2933133

CN1CCCN(C(=O)c2ccc(Nc3cncc(-c4cc5ccccc5[nH]4)n3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.52
KDR P35968 1/20 0.49
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
GRM5 P41594 5/20 0.46
RIPK1 Q13546 1/20 0.45
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
HPGD P15428 3/20 0.42
SYK P43405 1/20 0.42
CDK6 Q00534 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2932620 0.91 HRH4 (0.51) HRH4CCNT1CDK9GRM5RIPK1
SCHEMBL2927798 0.87 HRH4 (0.51) HRH4KDRCCNT1CDK9GRM5
SCHEMBL2928618 0.86 KDM4E (0.52) KDRCCNT1CDK9GRM5RIPK1
Trifluoroacetic Acid SCHEMBL4886766 0.86 CCNT1 (0.47) HRH4CCNT1CDK9GRM5RIPK1
SCHEMBL2927025 0.86 KDR (0.47) HRH4KDRCDK2
SCHEMBL2930788 0.82 KDR (0.50) HRH4KDRCDK2
SCHEMBL2927043 0.81 HCAR3 (0.48) HPGDSYKKDM4EHSD17B10
SCHEMBL14294231 0.78 LRRK2 (0.49)
SCHEMBL2927597 0.78 KDR (0.58) HRH4KDRRIPK1CDK2HPGD
SCHEMBL2933155 0.78 GRM5 (0.58) CCNT1CDK9GRM5HPGDCDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 HRH4 1833/4885KDR 3834/4885CCNT1 747/4885

“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.