SCHEMBL2928618

SCHEMBL2928618

O=C(c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)nc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
SRC P12931 1/20 0.48
RIPK1 Q13546 1/20 0.48
TYK2 P29597 1/20 0.47
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
GRM5 P41594 3/20 0.44
BTK Q06187 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATR Q13535 1/20 0.41
KDR P35968 2/20 0.40
HRH3 Q9Y5N1 1/20 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
SCHEMBL2928571 0.90 BTK (0.53) KDM4ERAB9ASMN1; SMN2POLBRIPK1
SCHEMBL2927798 0.87 HRH4 (0.51) SRCCCNT1CDK9GRM5KDR
Acetic Acid SCHEMBL2934985 0.87 BTK (0.52) KDM4ERAB9ASMN1; SMN2POLBRIPK1
SCHEMBL2933133 0.86 HRH4 (0.52) KDM4EPOLBRIPK1CCNT1CDK9
SCHEMBL2930665 0.84 LRRK2 (0.53)
SCHEMBL2927043 0.83 HCAR3 (0.48) KDM4E
SCHEMBL2927882 0.83 RIPK1 (0.55) SMN1; SMN2POLBRIPK1ATRKDR
Hydrochloric Acid SCHEMBL2935656 0.82 RIPK1 (0.54) SMN1; SMN2POLBRIPK1ATRKDR
SCHEMBL2927054 0.81 POLB (0.49) SMN1; SMN2POLBRIPK1BTKATR
Trifluoroacetic Acid SCHEMBL2934334 0.80 LRRK2 (0.51)

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 12 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
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 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
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 KDM4E 2380/4885RAB9A 1528/4885SMN1; SMN2 567/4885

“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.