SCHEMBL25452139

SCHEMBL25452139

CC1CN(c2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ GHSR Q92847 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL25094185 0.84 NOTUM (0.42) GRM2ALDH1A1NOTUMHTR3EHTR3B
SCHEMBL12452783 0.83 ALDH1A1 (0.46) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL24243092 0.81 ALDH1A1 (0.41) GRM2ALDH1A1NOTUMHTR3EHTR3B
SCHEMBL24243037 0.81 CHRNB4 (0.42) GRM2ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL12017183 0.78 ALDH1A1 (0.49) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL24243040 0.78 ESR1 (0.42) GRM2ALDH1A1NOTUMHTR3EHTR3B
SCHEMBL26796037 0.77 HSD11B1 (0.41) ALDH1A1SIGMAR1MAPTTSHRACACB
SCHEMBL18210659 0.76 PRMT6 (0.50) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL271333 0.76 PRMT6 (0.50) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL23510813 0.76 KHK (0.47) ALDH1A1NOTUMHTR1D

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GRM2 3078/4885ALDH1A1 1973/4885NOTUM 4831/4885

“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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