SCHEMBL20154935

SCHEMBL20154935

CCC(C)c1nccnc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2732228 0.82 PIK3CG (0.31)
SCHEMBL19386544 0.79 TSHR (0.30) TSHR
SCHEMBL21283402 0.79 TSHR (0.30) TSHR
SCHEMBL12844394 0.77 PDE3B (0.33)
SCHEMBL23251410 0.74 HPGD (0.39) TSHRKMT2A
SCHEMBL19058565 0.74 TSHR (0.48) TSHRRAB9A
SCHEMBL12775487 0.74 RORC (0.30)
SCHEMBL30520555 0.74 CYP2D6 (0.37) KMT2A
SCHEMBL424900 0.74 CYP2D6 (0.37) KMT2A
SCHEMBL26081362 0.74 TSHR (0.48) TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 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 (2 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-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB TSHR 4809/4885RAB9A 2231/4885KMT2A 628/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TSHR 4809/4885RAB9A 2231/4885KMT2A 628/4885

“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.