SCHEMBL18216445

SCHEMBL18216445

CC1C[C@]2(CC[C@@H](NC(=O)c3cnn4cccnc34)CC2)C(=O)N1c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IRAK4 Q9NWZ3 18/20 0.45
TNKS O95271 1/20 0.45
IRAK1 P51617 3/20 0.44
SYK P43405 2/20 0.43

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
SCHEMBL20185038 1.00 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL20185045 1.00 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL20185046 1.00 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL18208327 1.00 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL18208323 1.00 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL20118186 0.86 KDM4E (0.46) KDM4EHSD17B10IRAK4TNKS
SCHEMBL18208502 0.85 IRAK4 (0.49) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL18209065 0.85 IRAK4 (0.49) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL18208548 0.85 IRAK4 (0.49) KDM4EHSD17B10IRAK4TNKSIRAK1
SCHEMBL18208197 0.84 IRAK4 (0.48) KDM4EHSD17B10IRAK4IRAK1SYK

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 3 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
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 KDM4E 2120/4885HSD17B10 1415/4885IRAK4 3368/4885

“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.