SCHEMBL18501679

SCHEMBL18501679

Cc1nc(CC(C)(C)C)cc(C(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17194953 0.82 NOS3 (0.39) HMGCRKDM4EHSD17B10
SCHEMBL12579013 0.78 HSD17B10 (0.45) HMGCRKDM4EHSD17B10
SCHEMBL17194949 0.77 ALDH1A1 (0.48) HMGCRKDM4EHSD17B10
SCHEMBL18501678 0.73
SCHEMBL26860466 0.72 HSD17B10 (0.34) KDM4EHSD17B10
SCHEMBL8008745 0.72 NOS2 (0.40)
SCHEMBL803483 0.72 KDM4E (0.40) KDM4EHSD17B10
SCHEMBL17300734 0.71 HMGCR (0.33) HMGCR
SCHEMBL8019875 0.70 GABRA1 (0.37) HMGCRKDM4E
SCHEMBL17194951 0.69 PDE2A (0.48) KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-9862688-B2 Hydrophobically tagged janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-09 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US disclosed
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US 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 (3 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 HMGCR 4074/4885KDM4E 736/4885HSD17B10 3388/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 HMGCR 4074/4885KDM4E 736/4885HSD17B10 3388/4885
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 HMGCR 4187/4885KDM4E 1359/4885HSD17B10 3014/4885

“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.