SCHEMBL22363273

SCHEMBL22363273

O=C1Nc2ccccc2N(c2ccccc2)C[C@@H]1Nc1nnc(-c2ncc(C3CC3)cc2N2CCOCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ IDH1 O75874 2/20 0.35
▸ DHFR P00374 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ FPR1 P21462 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL20580036 0.88 DDB1 (0.35) DDB1CRBNIDH1MAPTTDP1
SCHEMBL20580035 0.88 DDB1 (0.35) DDB1CRBNIDH1MAPTTDP1
SCHEMBL22363279 0.85 DDB1 (0.36) DDB1CRBNIDH1MAPTTDP1
SCHEMBL22363312 0.82 DDB1 (0.35) DDB1CRBNMAPTALDH1A1
SCHEMBL21024564 0.81 DDB1 (0.34) DDB1CRBNIDH1MAPTALDH1A1
SCHEMBL22363271 0.81 DDB1 (0.33) DDB1CRBNIDH1MAPTTDP1
SCHEMBL20098514 0.80 CBLB (0.44) —
SCHEMBL22363323 0.80 DDB1 (0.35) DDB1CRBNIDH1
SCHEMBL22363278 0.79 MAPT (0.37) DDB1CRBNIDH1MAPTTDP1
SCHEMBL20580193 0.78 FPR2 (0.40) ALDH1A1FPR1FPR2NPC1RAB9A

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 1 patent. 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

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-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 DDB1 4468/4885CRBN 1203/4885IDH1 874/4885

“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.

Send feedback