SCHEMBL2095446

SCHEMBL2095446

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CC[C@@H](O)C3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 1/20 0.38
DRD1 P21728 1/20 0.38
DPP4 P27487 1/20 0.38
OPRK1 P41145 4/20 0.38
ADRB2 P07550 1/20 0.37
STAT3 P40763 1/20 0.36
ABCC4 O15439 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2093691 0.87 LMNA (0.48) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL10390924 0.86 OPRK1 (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092020 0.85 OPRK1 (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2093718 0.85 OPRK1 (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9685446 0.85 JAK2 (0.43) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9684577 0.85 LMNA (0.59) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9685896 0.79 KMT2A (0.67) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9044442 0.79 KMT2A (0.67) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9686011 0.79 KMT2A (0.67) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL501306 0.78 KMT2A (0.46) KMT2ALMNAKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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 (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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 KMT2A 4682/4885LMNA 2661/4885CYP2C9 45/4885

“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.