SCHEMBL2930653

SCHEMBL2930653

CCN(CC)CCNC(=O)c1ccc(Nc2cncc(-c3cc4cc(F)ccc4[nH]3)n2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 5/20 0.39
MCHR1 Q99705 1/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA1 P78396 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL2960848 0.96 TMEM97 (0.40) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL2931747 0.90 TMEM97 (0.45) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL2931629 0.89 MAPT (0.40) TP53MAPTCYP3A4CYP2C9CCNA2
Trifluoroacetic Acid SCHEMBL2931064 0.87 TMEM97 (0.41) TMEM97SIGMAR1TP53MAPTCYP3A4
Trifluoroacetic Acid SCHEMBL2933159 0.85 MAPT (0.38) TP53MAPTCYP3A4CYP2C9MCHR1
SCHEMBL2927992 0.85 ALDH1A1 (0.40) CCNA2CDK2LRRK2TTK
SCHEMBL2928408 0.84 PIM3 (0.46) CCNA2CDK2CCNT1CDK9LRRK2
SCHEMBL2960852 0.82 BRAF (0.37) CCNA2CDK2POLBTTK
Trifluoroacetic Acid SCHEMBL2928643 0.81 PTK2 (0.39) CCNA2CDK2LRRK2TTK
SCHEMBL2932358 0.81 IGF1R (0.39) CCNA2CDK2LRRK2TTK

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 7 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
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 TMEM97 2346/4885SIGMAR1 1647/4885TP53 1877/4885

“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.