SCHEMBL30637812

SCHEMBL30637812

N#CC1=CNCc2ccc(-c3ncc(C(F)(F)F)cn3)cc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CTSC P53634 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ GABBR2 O75899 1/20 0.30
▸ GABBR1 Q9UBS5 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
SCHEMBL31532265 0.71 ASIC3 (0.47) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL18224026 0.66 CLK4 (0.63) CTSSCTSKKIF11
SCHEMBL31058325 0.63 CYP11B2 (0.44) CTSSCTSKCYP11B1CYP11B2KIF11
SCHEMBL27213774 0.61 KIF11 (0.39) MAOBCTSSCTSKCYP11B1CYP11B2
SCHEMBL22130330 0.59 ALDH1A1 (0.61) MAOBKIF11NPC1ALDH1A1MAPT
SCHEMBL12498522 0.59 HDAC4 (0.43) CTSCKIF11NPC1ALDH1A1MAPT
SCHEMBL31375513 0.59 HDAC4 (0.43) CYP11B1CYP11B2KIF11NPC1ALDH1A1
SCHEMBL3476605 0.58 HDAC6 (0.49) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL31532261 0.57 AKT1 (0.47) KIF11NPC1ALDH1A1MAPTHTT
SCHEMBL22042741 0.57 RAB9A (0.64) KIF11NPC1ALDH1A1MAPTHTT

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
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — 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 (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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 MAOB 3485/4885KDM1A 366/4885CTSS 3101/4885

“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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