SCHEMBL22425935

SCHEMBL22425935

COc1ccc(COCC(C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX3 P56373 2/20 0.33
▸ RECQL P46063 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30

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
SCHEMBL22425827 1.00 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2P2RX3
SCHEMBL24500567 0.92 KDM4E (0.32) ALDH1A1LMNAMAPK1SMN1; SMN2P2RX3
SCHEMBL22411892 0.91 P2RX3 (0.36) ALDH1A1LMNAP2RX3POLBCSNK1D
SCHEMBL31172073 0.91 P2RX3 (0.36) ALDH1A1LMNAP2RX3POLBCSNK1D
SCHEMBL22411894 0.91 P2RX3 (0.36) ALDH1A1LMNAP2RX3POLBCSNK1D
SCHEMBL24500237 0.89 KDM4E (0.32) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL22425770 0.89 TYK2 (0.32) CSNK1DHCAR2
SCHEMBL22425763 0.89 CSNK1D (0.31) ALDH1A1RECQLCSNK1DKDM4EHSD17B10
SCHEMBL24500833 0.89 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2P2RX3
SCHEMBL22426027 0.89 PDE2A (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2P2RX3

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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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 (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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ALDH1A1 4098/4885LMNA 3948/4885MAPK1 218/4885

“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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