SCHEMBL20854973

SCHEMBL20854973

Fc1ccccc1-c1nc2n(n1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.45
▸ WDR5 P61964 1/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL20213673 0.78 MAPK1 (0.42) HIF1APDCD1CD274PDE10A
SCHEMBL20854982 0.77 ALDH1A1 (0.47) WDR5PDCD1CD274NPC1RAB9A
SCHEMBL20854927 0.74 NPC1 (0.46) NPC1RAB9APDE10A
SCHEMBL2523005 0.67 THRB (0.42) HIF1A
SCHEMBL20575611 0.65 TGFBR1 (0.55) HIF1AWDR5NPC1RAB9APDE10A
SCHEMBL10939995 0.64 NPC1 (0.41) NPC1RAB9A
SCHEMBL10941820 0.64 NPC1 (0.49) NPC1RAB9APDE10A
SCHEMBL2522496 0.63 CSNK1D (0.47) NPC1RAB9A
SCHEMBL1083814 0.63 HIF1A (0.97) HIF1ARAB9A
SCHEMBL1084817 0.63 HIF1A (0.92) HIF1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673892-B2 Bicyclic compounds for use as RIP1 kinase inhibitors GENENTECH, INC. (US) 2023-06-13 — — US disclosed
US-10975095-B2 — — 2021-04-13 — — US disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 — — 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 (3 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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 HIF1A 1677/4885WDR5 3655/4885PDCD1 3766/4885
US-10975095-B2 — CYP1B1, UGT1A1, CYP4B1 HIF1A 2801/4885WDR5 2168/4885PDCD1 4634/4885
US-11673892-B2 Bicyclic compounds for use as RIP1 kinase inhibitors RIPK1, RIPK2, RIPK3 HIF1A 2247/4885WDR5 376/4885PDCD1 918/4885

“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