SCHEMBL18208682

SCHEMBL18208682

Nc1nn2cccnc2c1C(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.45
▸ PIK3CG P48736 7/20 0.45
▸ PIK3R2 O00459 6/20 0.45
▸ PDE4B Q07343 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ JAK2 O60674 9/20 0.42
▸ JAK1 P23458 9/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL18208683 1.00 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2PDE4BHPGD
SCHEMBL18209027 0.84 IRAK4 (0.50) HPGDJAK2JAK1TYK2JAK3
SCHEMBL18209030 0.84 IRAK4 (0.50) HPGDJAK2JAK1TYK2JAK3
SCHEMBL20138810 0.82 GRM4 (0.44) PDE4BHPGD
SCHEMBL20138812 0.82 GRM4 (0.44) PDE4BHPGD
SCHEMBL20143016 0.79 HPGD (0.49) PDE4BHPGDJAK2JAK1TYK2
SCHEMBL20143015 0.79 HPGD (0.49) PDE4BHPGDJAK2JAK1TYK2
SCHEMBL20143023 0.77 CCNA2 (0.49) PDE4BHPGD
SCHEMBL20143024 0.77 CCNA2 (0.49) PDE4BHPGD
SCHEMBL18208181 0.75 EPHB3 (0.56) HPGD

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S PIK3CD 3578/4885PIK3CG 3800/4885PIK3R2 2118/4885

“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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