SCHEMBL20064837

SCHEMBL20064837

CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2C)nc2cc(-c3ccc(Br)cc3F)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
ADORA2A P29274 3/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RORC P51449 4/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
RORB Q92753 3/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL23953725 1.00 HPGD (0.44) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL18198537 0.91 HPGD (0.46) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL18198357 0.91 HPGD (0.46) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL23953956 0.91 HPGD (0.44) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL23953592 0.87 HPGD (0.48) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL23953692 0.87 HPGD (0.46) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL20064838 0.87 HPGD (0.46) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL20064917 0.86 HPGD (0.41) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL20064829 0.85 HPGD (0.49) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL20065455 0.85 HPGD (0.41) HPGDALDH1A1LMNAHTTNPSR1

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
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP HPGD 2564/4885ALDH1A1 3193/4885LMNA 3900/4885

“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.