SCHEMBL25928607

SCHEMBL25928607

Cc1cc(F)cc(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.34
▸ SQOR Q9Y6N5 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL22543799 0.85 HSD17B10 (0.39) KDM4EHSD17B10SQORHMGCR
SCHEMBL16579591 0.82 HSP90AA1 (0.55) KDM4EHSP90AA1HSP90AB1HSD17B10KMT2A
SCHEMBL24966591 0.77 HSP90AA1 (0.41) KDM4EHSP90AA1HSP90AB1HSD17B10SQOR
SCHEMBL14129058 0.77 — —
SCHEMBL12871593 0.76 NOS3 (0.46) KDM4EHSP90AA1HSP90AB1HSD17B10AURKA
SCHEMBL22549257 0.76 HSD17B10 (0.41) KDM4EHSP90AA1HSP90AB1HSD17B10SQOR
SCHEMBL24848200 0.76 HRH4 (0.35) KDM4EHSD17B10SQORKMT2AADORA2A
SCHEMBL12257695 0.74 POLB (0.39) KDM4EHSP90AA1HSP90AB1HSD17B10KMT2A
SCHEMBL12553825 0.74 HSP90AA1 (0.42) KDM4EHSP90AA1HSP90AB1HSD17B10KMT2A
SCHEMBL15144972 0.74 HSP90AA1 (0.38) KDM4EHSP90AA1HSP90AB1HSD17B10AURKA

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-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3629/4885HSP90AA1 4780/4885HSP90AB1 4651/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3553/4885HSP90AA1 4606/4885HSP90AB1 4282/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KDM4E 3553/4885HSP90AA1 4606/4885HSP90AB1 4282/4885

“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.

Send feedback