SCHEMBL27051631

SCHEMBL27051631

Cc1ccc2c(O)nn(C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ LMNA P02545 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TRPA1 O75762 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALB P02768 2/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ PDE1A P54750 1/20 0.33

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
SCHEMBL20116565 0.82 GRM4 (0.44) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL27051630 0.79 RET (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL26373750 0.79 NR1I2 (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20117051 0.79 SYK (0.36) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL14817010 0.78 KDM4E (0.42) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20116947 0.76 NR1I2 (0.35) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20116946 0.74 MPO (0.37) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20749527 0.74 HTR4 (0.36) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20117058 0.73 HTR2A (0.37) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL25696308 0.72 ALDH1A1 (0.36) LMNANPC1RAB9ATRPA1ESR1

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NR1I2 433/4885EGFR 253/4885ADRA2A 4613/4885

“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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