SCHEMBL25094185

SCHEMBL25094185

CC(C)(C)c1cccc(N2CC(O)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.42
▸ GRM2 Q14416 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACHE P22303 3/20 0.37
▸ ACACB O00763 1/20 0.36
▸ POLB P06746 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
SCHEMBL25452139 0.84 GRM2 (0.40) NOTUMGRM2HDAC4HDAC2HDAC8
SCHEMBL24121023 0.83 ALDH1A1 (0.45) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL24243092 0.80 ALDH1A1 (0.41) NOTUMGRM2ALDH1A1HTR3EHTR3B
SCHEMBL24243037 0.80 CHRNB4 (0.42) GRM2ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL26802563 0.78 ACACB (0.43) ALDH1A1MAPTTSHRACACBLMNA
SCHEMBL12017183 0.77 ALDH1A1 (0.49) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL18210659 0.75 PRMT6 (0.50) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL271333 0.75 PRMT6 (0.50) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL12452783 0.75 ALDH1A1 (0.46) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL23510813 0.74 KHK (0.47) NOTUMALDH1A1HTR1D

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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — 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 (2 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF NOTUM 4831/4885GRM2 3078/4885HDAC4 4531/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 NOTUM 4469/4885GRM2 3622/4885HDAC4 1675/4885

“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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