SCHEMBL3597086

SCHEMBL3597086

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(N3CCOCC3)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ PRKDC P78527 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PAX8 Q06710 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
SCHEMBL29442273 1.00 KMT2A (0.44) KMT2APRKDCMRGPRX4ALDH1A1MAPT
SCHEMBL3585863 0.91 PDE5A (0.46) KMT2AALDH1A1MAPTGAAALOX15
SCHEMBL14390907 0.88 KMT2A (0.46) KMT2APRKDCMRGPRX4ALDH1A1MAPT
SCHEMBL22215627 0.84 PDE5A (0.39) KMT2APRKDCALDH1A1MAPTGAA
SCHEMBL3589518 0.81 ADORA2A (0.39) KMT2AALDH1A1MAPTGAAALOX15
SCHEMBL3592516 0.80 ALDH1A1 (0.46) KMT2AALDH1A1MAPTGAAADORA2A
SCHEMBL3597920 0.79 ALDH1A1 (0.55) KMT2AALDH1A1MAPTGAAALOX15
SCHEMBL14391023 0.78 KDM4E (0.40) KMT2AALDH1A1MAPTGAAALOX15
SCHEMBL3582806 0.78 TSHR (0.43) KMT2AALDH1A1MAPTGAAALOX15
SCHEMBL3588104 0.77 ADORA2A (0.38) KMT2AALDH1A1MAPTGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140193338-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM PIRAMAL IMAGING SA (SE) 2014-07-10 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20140193338-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM PMP22, MAG, CLN6 KMT2A 3732/4885PRKDC 4401/4885MRGPRX4 324/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KMT2A 728/4885PRKDC 994/4885MRGPRX4 3732/4885

“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.

Send feedback