SCHEMBL20098036

SCHEMBL20098036

CC1(Nc2nc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
BCHE P06276 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC4 Q9UBN4 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 6/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20098035 0.78 STK10 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1GABRA1
SCHEMBL20098037 0.78 NPC1 (0.40) ALDH1A1HSD17B10RAB9ASMN1; SMN2LMNA
SCHEMBL21117035 0.78 CCKAR (0.38) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL20098084 0.73 CCKBR (0.57) CCKARCCKBR
SCHEMBL20098666 0.73 GABRA1 (0.39) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL5803308 0.72 GABRA1 (0.53) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL22022340 0.70 GABRA1 (0.50) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL21755152 0.70 GABRA1 (0.50) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL21755197 0.69 ADCY1 (0.43) ALDH1A1SMN1; SMN2LMNATP53KDM4E
SCHEMBL20098184 0.69 ADCY1 (0.43) ALDH1A1SMN1; SMN2LMNATP53KDM4E

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
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2020-07-16 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 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 (5 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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 ALDH1A1 621/4885MAPK1 2860/4885HSD17B10 890/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885MAPK1 2810/4885HSD17B10 3902/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 ALDH1A1 621/4885MAPK1 2860/4885HSD17B10 890/4885
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 ALDH1A1 621/4885MAPK1 2860/4885HSD17B10 890/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885MAPK1 2810/4885HSD17B10 3902/4885

“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.