SCHEMBL20580195

SCHEMBL20580195

O=C1Nc2ccccc2N(c2ccccc2)CC1Nc1nnc(-c2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ GSK3B P49841 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ DBF4 Q9UBU7 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
SCHEMBL20580193 1.00 FPR2 (0.40) FPR2FPR1GSK3BALDH1A1HTT
SCHEMBL22363309 0.93 ADCY1 (0.41) FPR2FPR1HTTKDM4EPTGS2
SCHEMBL22363277 0.86 BRD4 (0.32) FPR2FPR1ALDH1A1HTTKDM4E
SCHEMBL22363323 0.81 DDB1 (0.35) KDM4E
SCHEMBL22363278 0.80 MAPT (0.37) FPR2FPR1ALDH1A1HSD17B10L3MBTL1
SCHEMBL22363279 0.79 DDB1 (0.36) FPR2FPR1ALDH1A1HSD17B10L3MBTL1
SCHEMBL20580343 0.79 OPRK1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20580344 0.79 OPRK1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22363312 0.78 DDB1 (0.35) ALDH1A1HTTKDM4E
SCHEMBL22363330 0.78 ALDH1A1 (0.40) FPR2FPR1GSK3BALDH1A1HTT

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-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-12-13 — — 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-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS AHR, FURIN, CYP3A5 FPR2 432/4885FPR1 247/4885GSK3B 570/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 FPR2 432/4885FPR1 247/4885GSK3B 570/4885

“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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