SCHEMBL25093293

SCHEMBL25093293

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C#N)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MTOR P42345 4/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GRIA4 P48058 3/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32

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
SCHEMBL19318455 0.82 TNF (0.42) KIF11KDM4EALDH1A1KMT2AHSD17B1
SCHEMBL12296890 0.82 APP (0.43) CYP2C9CYP2C19MAPK1KMT2AHSD17B1
SCHEMBL20772935 0.77 IKBKB (0.39) ALDH1A1CYP1A2KMT2A
SCHEMBL26781824 0.76 HSD17B1 (0.41) CYP2C9CYP2C19MAPK1KMT2AHSD17B1
SCHEMBL9525949 0.75 RAB9A (0.55) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL10332125 0.74 HSD17B1 (0.40) CYP2C9CYP2C19HSD17B1HSD17B2APP
SCHEMBL10078944 0.74 HSD17B1 (0.50) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6563317 0.73 KIF11 (0.41) JAK2JAK1TYK2JAK3KIF11
SCHEMBL19768583 0.73 HSD17B1 (0.53) KDM4EALDH1A1HPGDCYP2C19KMT2A
SCHEMBL23772779 0.72 KIF11 (0.39) JAK2JAK1TYK2JAK3KIF11

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 JAK2 228/4885JAK1 106/4885TYK2 1331/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 JAK2 5/4885JAK1 46/4885TYK2 541/4885

“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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