SCHEMBL30167474

SCHEMBL30167474

CSc1nc2c(c(N3CCN(C(=O)OCc4ccccc4)[C@H](C)C3)n1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
SPR P35270 1/20 0.41
CXCR3 P49682 4/20 0.40
HTR2C P28335 1/20 0.40
LIMK2 P53671 1/20 0.39
SLC29A1 Q99808 1/20 0.37
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL29888410 0.88 IDH1 (0.41) IDH1
SCHEMBL28500547 0.88 IDH1 (0.41) IDH1
SCHEMBL19948383 0.88 IDH1 (0.41) IDH1
SCHEMBL19616784 0.86 SLC29A1 (0.48) SLC6A4HTR2CSLC29A1TMEM97SIGMAR1
SCHEMBL30565829 0.83 HTR2C (0.41) IDH1HDAC1HTR2CSLC29A1
SCHEMBL29194133 0.83 IDH1 (0.42) IDH1SPR
SCHEMBL26882313 0.81 HTR2C (0.38) HTR2CSLC29A1TMEM97SIGMAR1
SCHEMBL29246209 0.81 HTR2C (0.36) HTR2CLIMK2
SCHEMBL30167455 0.81 KRAS (0.45) IDH1HDAC1HDAC2HDAC3CYP2C9
SCHEMBL30545275 0.81 KRAS (0.47) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630547-B2 RAS protein degraders, pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2026-05-19 US disclosed
US-20230002371-A1 RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX INC (US) 2023-01-05 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-12630547-B2 RAS protein degraders, pharmaceutical compositions thereof, and their therapeutic applications KRAS, RSU1, NRAS IDH1 2475/4885HDAC1 3079/4885HDAC2 4180/4885
US-20230002371-A1 RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS KRAS, RSU1, RAB1A IDH1 2916/4885HDAC1 1306/4885HDAC2 3263/4885

“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.