SCHEMBL20206931

SCHEMBL20206931

C[C@H](I)c1ccc2nnnn2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL17812871 0.85 NOTUM (0.41) NOTUMALDH1A1KDM4EHPGD
SCHEMBL22214045 0.70 CNR2 (0.33) ALDH1A1
SCHEMBL9769352 0.69 ADRB2 (0.33) ALDH1A1KDM4EHPGD
SCHEMBL19788241 0.69
SCHEMBL9290949 0.67 HTT (0.30)
SCHEMBL9769173 0.66
SCHEMBL9769266 0.66 ADRB2 (0.35)
SCHEMBL9769296 0.64 ADRB2 (0.44) KDM4E
SCHEMBL10584351 0.64 ADRB2 (0.44) KDM4E
SCHEMBL2857448 0.63 ESR1 (0.38)

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-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 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-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 NOTUM 4733/4885ALDH1A1 1320/4885KDM4E 3174/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 NOTUM 4733/4885ALDH1A1 1320/4885KDM4E 3174/4885

“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.