SCHEMBL22870899

SCHEMBL22870899

CC(C)CCC(=O)Nc1ccc2cccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.59
▸ NOTUM Q6P988 2/20 0.58
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BAZ1A Q9NRL2 1/20 0.48
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL22590411 0.85 P2RY14 (0.62) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL22870398 0.83 SMN1; SMN2 (0.61) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL22860096 0.82 P2RY14 (0.65) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL23081676 0.82 P2RY14 (0.59) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL22590471 0.82 P2RY14 (0.59) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL21296709 0.80 P2RY14 (0.62) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL21479388 0.80 MEN1 (0.58) P2RY14NOTUMMEN1KMT2ARAB9A
SCHEMBL4855527 0.80 P2RY14 (0.62) P2RY14NOTUMMEN1KMT2AHDAC6
SCHEMBL3310740 0.78 MEN1 (0.63) P2RY14NOTUMMEN1KMT2ARAB9A
SCHEMBL27389314 0.77 MEN1 (0.76) P2RY14NOTUMMEN1KMT2AHDAC6

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 7 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-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2022-07-05 — — US disclosed
US-11370765-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
WO-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO 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-20210002237-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-01-07 — — 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 (4 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-20210009537-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 P2RY14 3793/4885NOTUM 3388/4885MEN1 2540/4885
US-20210002237-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 P2RY14 3793/4885NOTUM 3388/4885MEN1 2540/4885
US-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 P2RY14 3793/4885NOTUM 3388/4885MEN1 2540/4885
US-11370765-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 P2RY14 3793/4885NOTUM 3388/4885MEN1 2540/4885

“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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