SCHEMBL19210996

SCHEMBL19210996

O=C(CN1C(=O)C2(CCNCC2)c2cc(Br)ccc21)NCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.62
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ANPEP P15144 3/20 0.47
HDAC2 Q92769 2/20 0.45
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 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
SCHEMBL19235349 0.89 DDR1 (0.62) DDR1ANPEPPPARGNR2E3NCOR2
SCHEMBL19235258 0.88 DDR1 (0.62) DDR1ANPEPPPARGNR2E3NCOR2
SCHEMBL29444522 0.85 DDR1 (0.59) DDR1PPARGNR2E3NCOR2
SCHEMBL19211076 0.85 DDR1 (0.59) DDR1PPARGNR2E3NCOR2
SCHEMBL19235257 0.83 DDR1 (0.62) DDR1PPARGNR2E3NCOR2
SCHEMBL19235281 0.82 DDR1 (0.59) DDR1HDAC1HDAC3HDAC8HDAC5
SCHEMBL19235276 0.81 DDR1 (0.62) DDR1
SCHEMBL19235380 0.81 DDR1 (0.61) DDR1
SCHEMBL19235344 0.79 DDR1 (0.62) DDR1
SCHEMBL23252609 0.78 DDR1 (0.50) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-10618897-B2 Spiroindolinones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-04-14 US disclosed
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-03-07 US disclosed
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-03-07 US disclosed
EP-3414247-A1 SPIROINDOLINONES AS DDR1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-19 EP disclosed
WO-2017137334-A1 SPIROINDOLINONES AS DDR1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-17 WO disclosed
WO-2017137334-A1 SPIROINDOLINONES AS DDR1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-17 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 (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-10618897-B2 Spiroindolinones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HDAC1 629/4885HDAC3 874/4885
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885HDAC1 629/4885HDAC3 874/4885

“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.