SCHEMBL5401733

SCHEMBL5401733

CC(C)CCC(=O)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.63
ROCK1 Q13464 5/20 0.63
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
P2RX7 Q99572 2/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.54
JAK2 O60674 1/20 0.54
HDAC1 Q13547 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CLK2 P49760 1/20 0.52
DYRK1A Q13627 1/20 0.52
PRKG1 Q13976 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52

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
SCHEMBL23077714 0.90 NPSR1 (0.65) P2RX7MEN1KMT2ANPC1RAB9A
SCHEMBL23075124 0.85 CNR1 (0.69) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL5413020 0.84 ROCK2 (0.65) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL2567822 0.83 ROCK2 (0.64) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL22590401 0.83 CNR1 (0.77) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL5411112 0.83 P2RX7 (0.65) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL5407357 0.83 ROCK2 (0.63) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL17776529 0.82 ROCK2 (0.71) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL22590465 0.82 ROCK2 (0.63) ROCK2ROCK1CNR1CNR2P2RX7
SCHEMBL5415164 0.82 ROCK2 (0.63) ROCK2ROCK1CNR1CNR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
US-11584758-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-02-21 US disclosed
US-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (GA) 2022-05-17 US disclosed
US-20210317135-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-14 US disclosed
US-20210009537-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-01-14 US disclosed
US-20200407332-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2020-12-31 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (7 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-11584758-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 ROCK2 320/4885ROCK1 94/4885CNR1 3782/4885
US-20210009537-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ROCK2 275/4885ROCK1 99/4885CNR1 4030/4885
US-20200407332-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ROCK2 275/4885ROCK1 99/4885CNR1 4030/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CNR1 1135/4885
US-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 ROCK2 275/4885ROCK1 99/4885CNR1 4030/4885
US-20210317135-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 ROCK2 320/4885ROCK1 94/4885CNR1 3782/4885
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 ROCK2 275/4885ROCK1 99/4885CNR1 4030/4885

“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.