SCHEMBL545692

SCHEMBL545692

Nc1cc(CN2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
CASP1 P29466 2/20 0.51
CASP5 P51878 2/20 0.51
CYP2D6 P10635 6/20 0.49
CYP3A4 P08684 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 2/20 0.45
TSHR P16473 4/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.42
CHKA P35790 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CASP4 P49662 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL29967920 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL545978 0.98 ALDH1A1 (0.60) ALDH1A1KDM4EGAACASP1CASP5
Hydrochloric Acid SCHEMBL30349712 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL4935986 0.97 ALDH1A1 (0.54) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL6028265 0.88 ALDH1A1 (0.67) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL31010361 0.86 ALDH1A1 (0.70) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL446369 0.86 HIF1A (0.52) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL16907553 0.86 CYP2D6 (0.59) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL545422 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EGAACASP1CASP5
SCHEMBL545449 0.86 LMNA (0.53) ALDH1A1KDM4EGAACASP1CASP5

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313972-B1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-01-29 EP disclosed
US-20240425482-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-26 US disclosed
EP-4419516-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-08-28 EP disclosed
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
EP-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 EP disclosed
WO-2023066834-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-04-27 WO disclosed
WO-2023066834-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-04-27 WO disclosed
WO-2022200577-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 WO disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022129915-A1 PYRAZOLE DERIVATIVES AS C-ABL INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 WO disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 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 (5 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-20240425482-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 ALDH1A1 3779/4885KDM4E 2389/4885GAA 3053/4885
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 ALDH1A1 870/4885KDM4E 1696/4885GAA 2900/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 ALDH1A1 870/4885KDM4E 1696/4885GAA 2900/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 ALDH1A1 3751/4885KDM4E 2592/4885GAA 3688/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 ALDH1A1 4226/4885KDM4E 1104/4885GAA 1352/4885

“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.