SCHEMBL14722651

SCHEMBL14722651

FC(F)(F)c1cc(Br)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR1 P11362 1/20 0.33
▸ DDR2 Q16832 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATR Q13535 3/20 0.32
▸ PDE9A O76083 3/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ PDE1A P54750 1/20 0.31

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
SCHEMBL29936967 1.00 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31128164 0.84 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31128154 0.84 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL15209141 0.84 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14723533 0.83 ATR (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14723281 0.82 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17731741 0.81 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14723573 0.81 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30860811 0.81 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29561854 0.81 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 — — EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 — — US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 — — WO 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS RXRA 3326/4885RXRB 3118/4885RXRG 2805/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 RXRA 1879/4885RXRB 1556/4885RXRG 2253/4885

“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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