SCHEMBL25287787

SCHEMBL25287787

Cc1cc2c(cnn2C2CCCCO2)c(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ RET P07949 7/20 0.38
▸ ATR Q13535 2/20 0.37
▸ PDE1A P54750 3/20 0.35
▸ PDE1B Q01064 3/20 0.35
▸ PDE1C Q14123 3/20 0.35
▸ PDE9A O76083 1/20 0.33
▸ HPGD P15428 1/20 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
SCHEMBL25021243 0.88 CYP4F2 (0.49) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31128173 0.88 CYP4F2 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL24536348 0.86 ALDH1A1 (0.44) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL19948345 0.85 CYP4F2 (0.44) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL21196119 0.85 CYP4F2 (0.49) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL20132934 0.85 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL1290827 0.83 ALDH1A1 (0.46) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL5409241 0.82 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31527394 0.81 CYP4F2 (0.44) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL1709840 0.81 CYP4F2 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 — — US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 — — US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 — — US disclosed
CN-115836072-A Inhibitors of KRAS G12C protein and uses thereof 上海德琪医药科技有限公司 2023-03-21 — — CN 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-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4502/4885POLB 2222/4885LMNA 3151/4885

“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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