SCHEMBL20187191

SCHEMBL20187191

O=C(CN1CN(c2ccccc2F)C2(CCN(Cc3ccccc3)CC2)C1=O)NCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 18/20 0.60
DDR2 Q16832 3/20 0.49
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL20187123 0.88 DDR1 (0.59) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187055 0.85 DDR1 (0.61) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187163 0.84 DDR1 (0.60) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187126 0.84 DDR1 (0.62) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187045 0.84 DDR1 (0.62) DDR1DDR2
SCHEMBL20187042 0.83 DDR1 (0.62) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187114 0.83 DDR1 (0.62) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187153 0.83 DDR1 (0.62) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL20187211 0.81 DDR1 (0.63) DDR1DDR2MEN1CYP3A4CYP2D6
SCHEMBL19235355 0.80 DDR1 (0.58) DDR1DDR2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
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 (4 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885MEN1 1263/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885MEN1 1263/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885MEN1 1263/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885MEN1 1263/4885

“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.