SCHEMBL21995020

SCHEMBL21995020

COC(=O)c1cc(C2CC2)c(N)nn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ PLAT P00750 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ NQO2 P16083 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL24238698 0.82 HCAR2 (0.43) KDM4EALOX5APFEN1POLBSMN1; SMN2
SCHEMBL31312237 0.76 PTGDR2 (0.38) SLC6A3PDK2PDK4MAPK1HSD17B10
SCHEMBL21994523 0.74 PDGFRB (0.44) MAPK1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL15633752 0.73 CNR2 (0.33) MAPK1KDM4EALDH1A1RBP4
SCHEMBL21994990 0.72 MAPK1 (0.39) MAPK1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29878040 0.71 MAPK1 (0.41) SLC6A3MAPK1HSD17B10KDM4EALDH1A1
SCHEMBL17591959 0.70 CYP11B2 (0.42) SLC6A3MAPK1HSD17B10PLATLMNA
SCHEMBL31393371 0.70 CYP11B2 (0.42) SLC6A3MAPK1HSD17B10PLATLMNA
SCHEMBL21623504 0.70 GABRA1 (0.41) PDK2PDK4MAPK1HSD17B10KDM4E
SCHEMBL31419174 0.69 HTT (0.47) HSD17B10KDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887372-B1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-10-12 — — EP disclosed
US-20220033396-A1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2022-02-03 — — US disclosed
EP-3887372-A1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2021-10-06 — — EP disclosed
CN-113166146-A Other heteroaromatic compounds with anti-RSV activity 爱尔兰詹森科学公司 2021-07-23 — — CN disclosed
WO-2020109224-A1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-06-04 — — WO disclosed
WO-2020109224-A1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-06-04 — — 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-20220033396-A1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV VIM, MAVS, VARS1 SLC6A3 4136/4885PDK2 912/4885PDK4 884/4885

“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.

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