SCHEMBL454836

SCHEMBL454836

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.48
KDM5B Q9UGL1 4/20 0.48
KDM5A P29375 3/20 0.48
KDM4A O75164 1/20 0.48
FLT3 P36888 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EGLN2 Q96KS0 1/20 0.41
MAP4K4 O95819 2/20 0.41
CHEK1 O14757 1/20 0.41
CSF1R P07333 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
CDK8 P49336 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAP4K2 Q12851 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL453196 0.82 FLT3 (0.39) KDM4CKDM5BKDM5AKDM4AFLT3
SCHEMBL452392 0.81 KDM4C (0.42) KDM4CKDM5BKDM5AKDM4AFLT3
SCHEMBL441940 0.76 KDR (0.49) KDM4CEGLN2MAP4K4CHEK1CSF1R
SCHEMBL21439276 0.71 TPMT (0.39) KDM4CKDM5BKDM5AKDM4AEGLN2
SCHEMBL1495453 0.69 DHODH (0.70) MAP4K4DHODHCTRCALDH1A1KDM4E
SCHEMBL7823500 0.69 ALDH1A1 (0.65) MAP4K4DHODHCTRCALDH1A1KDM4E
SCHEMBL28953299 0.69 FNTA (0.48) KDM4CKDM4AMEN1KMT2AALDH1A1
SCHEMBL19697815 0.68 KDM4E (0.44) KMT2AMAP4K4CSF1RPRKACAKDR
SCHEMBL3776905 0.68 DHODH (0.45) KDM4CKDM5BKDM5AKDM4AMAP4K4
SCHEMBL23675330 0.67 FLT3 (0.62) KDM4CKDM5BKDM5AFLT3MAP4K4

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 5 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
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 KDM4C 4288/4885KDM5B 4019/4885KDM5A 3924/4885

“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.