SCHEMBL5873010

SCHEMBL5873010

CNCCN(C)C(=O)c1nc(-c2n[nH]c3c(C)c(F)ccc23)sc1-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.34
WNT1 P04628 3/20 0.34
ATAD2 Q6PL18 1/20 0.33
HTR2C P28335 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C19 P33261 3/20 0.33
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 3/20 0.31

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
SCHEMBL5872924 0.91 DYRK1A (0.34) DYRK1AWNT1ATAD2HTR2CCYP1A2
SCHEMBL5873238 0.86 DYRK1A (0.37) DYRK1AWNT1ATAD2HTR2CCYP1A2
SCHEMBL5768289 0.78 KDM4E (0.36) DYRK1AATAD2HTR2CCYP1A2CYP3A4
SCHEMBL5872987 0.77 MKNK1 (0.44) HTR2CALDH1A1MEN1KMT2ANTRK1
SCHEMBL5872946 0.77 HRH4 (0.40) DYRK1AWNT1ALDH1A1MEN1KMT2A
SCHEMBL5771710 0.76 KDM5A (0.39) DYRK1AWNT1
SCHEMBL5769944 0.76 KDM5A (0.39) DYRK1AWNT1
SCHEMBL5872847 0.74 DYRK1A (0.39) DYRK1AWNT1PIM1
SCHEMBL5769495 0.73 GPR35 (0.39) ATAD2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5770570 0.73 NR4A2 (0.38) ATAD2CYP1A2CYP3A4CYP2C19KDM4E

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
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885WNT1 3712/4885ATAD2 1264/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885WNT1 3712/4885ATAD2 1264/4885

“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.