SCHEMBL22223333

SCHEMBL22223333

CCc1cc(C(=O)N2CCCCC[C@H]2C)nc2cc(-c3ccc(N(C)C)cc3F)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.37
GAA P10253 2/20 0.35
ADORA2A P29274 1/20 0.35
TP53 P04637 3/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL20065174 1.00 HPGD (0.45) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL20065492 0.91 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL23953572 0.91 HPGD (0.46) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL23953702 0.91 HPGD (0.46) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL21257425 0.91 HPGD (0.46) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL21257512 0.91 HPGD (0.42) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL18198646 0.91 HPGD (0.43) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL20065051 0.90 HPGD (0.47) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL23953937 0.90 HPGD (0.47) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL23953960 0.89 HPGD (0.46) HPGDALDH1A1KDM4ELMNAHTT

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-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds Janssen Sciences Ireland Unlimited Company (IE) 2021-08-10 US disclosed
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 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-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP HPGD 2564/4885ALDH1A1 3193/4885KDM4E 3598/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP HPGD 2564/4885ALDH1A1 3193/4885KDM4E 3598/4885

“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.