SCHEMBL17554109

SCHEMBL17554109

COc1ccc(C(=O)Nc2ccncc2C(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
GAA P10253 1/20 0.76
BCL3 P20749 1/20 0.76
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
MEN1 O00255 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
KMT2A Q03164 1/20 0.71
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.57
CD274 Q9NZQ7 2/20 0.55
POLB P06746 2/20 0.53
KDM5B Q9UGL1 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL17554038 0.93 ALDH1A1 (0.76) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL17554145 0.90 ALDH1A1 (0.61) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL29849945 0.86 BCL3 (1.00) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL16430708 0.86 BCL3 (1.00) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL17554101 0.84 ALDH1A1 (0.81) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL17554036 0.81 ALDH1A1 (0.76) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL30560552 0.81 ALDH1A1 (0.89) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL17554065 0.81 ALDH1A1 (0.89) ALDH1A1GAABCL3CYP2C9CYP2C19
SCHEMBL28284466 0.79 IRAK4 (0.55) CD274
SCHEMBL17554049 0.78 ALDH1A1 (0.68) ALDH1A1GAABCL3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
US-20190248756-A1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2019-08-15 US disclosed
US-20190248756-A1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2019-08-15 US disclosed
US-10273218-B2 BCL-3 inhibitors UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2019-04-30 US disclosed
US-10273218-B2 BCL-3 inhibitors UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2019-04-30 US disclosed
US-20170267653-A1 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-09-21 US disclosed
US-20170267653-A1 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-09-21 US disclosed
EP-3174602-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2017-06-07 EP disclosed
WO-2016016728-A2 BCL-3 INHIBITORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-02-04 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 (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-20190248756-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 ALDH1A1 2635/4885GAA 4322/4885BCL3 1/4885
US-10273218-B2 BCL-3 inhibitors BCL3, BCL2, BCL2L13 ALDH1A1 2830/4885GAA 4220/4885BCL3 1/4885
US-20170267653-A1 BCL-3 INHIBITORS BCL3, BCL2, BCL2L13 ALDH1A1 2830/4885GAA 4220/4885BCL3 1/4885

“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.