SCHEMBL18208326

SCHEMBL18208326

COc1ccc2ncc(C(=O)O)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.50
▸ DYRK3 O43781 6/20 0.50
▸ DYRK2 Q92630 6/20 0.50
▸ DYRK1B Q9Y463 5/20 0.50
▸ CCNA2 P20248 3/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ CCNT1 O60563 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CDK5 Q00535 3/20 0.46
▸ CDK5R1 Q15078 3/20 0.46
▸ TGFBR1 P36897 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL18208332 0.85 DYRK1A (0.48) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL21083379 0.79 TGFBR1 (0.52) TGFBR1KDM4EHPGDHSD17B10FYN
SCHEMBL24771760 0.77 DYRK1A (0.46) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL14881524 0.76 PIM1 (0.43) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL12850753 0.76 TNF (0.51) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL23872989 0.75 GRN (0.45) CDK5TGFBR1KDM4EFYN
SCHEMBL2903376 0.74 FYN (0.71) FYN
SCHEMBL2906009 0.74 FYN (0.51) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL14881554 0.74 TGFBR1 (0.35) DYRK1ADYRK3DYRK2DYRK1BCCNA2
SCHEMBL15973521 0.73 DYRK1A (0.51) DYRK1ADYRK3DYRK2DYRK1BCCNA2

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 6 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 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 DYRK1A 4464/4885DYRK3 4514/4885DYRK2 4688/4885

“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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