SCHEMBL453196

SCHEMBL453196

Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc3nccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 4/20 0.36
KDM5B Q9UGL1 4/20 0.36
KDM5A P29375 3/20 0.36
KDM4A O75164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
TNK2 Q07912 1/20 0.34
TET2 Q6N021 1/20 0.33
OGFOD1 Q8N543 1/20 0.33
TET1 Q8NFU7 1/20 0.33

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
SCHEMBL452993 0.83 CA9 (0.35) FLT3MEN1KMT2AKDM4CKDM5B
SCHEMBL454836 0.82 KDM4C (0.48) FLT3MEN1KMT2AKDM4CKDM5B
SCHEMBL441940 0.75 KDR (0.49) KDM4CALDH1A1EGLN2CHEK1MAP4K4
SCHEMBL1853389 0.70 CA12 (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL27004605 0.68 TDP1 (0.46) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL106447 0.68 CYP2C19 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL318720 0.68 TDP1 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL7058435 0.67 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL27464798 0.66 TNK2 (0.41) KMT2ATNK2KDR
SCHEMBL453058 0.66 MEN1 (0.47) MEN1KMT2ACA12CA1CA2

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 FLT3 2663/4885MEN1 4860/4885KMT2A 4191/4885

“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.