SCHEMBL10104471

SCHEMBL10104471

Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.55
PDE3A Q14432 2/20 0.55
NR1H2 P55055 1/20 0.51
HSD17B10 Q99714 2/20 0.50
CYP2A13 Q16696 3/20 0.49
CYP2C9 P11712 2/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SYK P43405 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 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
SCHEMBL14515373 0.88 HSD17B10 (0.50) PDE3BPDE3AHSD17B10CYP2A13CYP2C9
SCHEMBL12426532 0.86 NR1H2 (0.55) NR1H2CYP2C9SMN1; SMN2KDM4EATM
SCHEMBL25745797 0.85 NR1H2 (0.54) NR1H2CYP2C9SMN1; SMN2KDM4EATM
SCHEMBL15785402 0.84 NR1H2 (0.56) NR1H2CYP2C9KDM4EATMMEN1
SCHEMBL7923610 0.84 NR1H2 (0.72) NR1H2CYP2C9KDM4EATMMEN1
SCHEMBL15237068 0.83 PDE3B (0.50) PDE3BPDE3ANR1H2HSD17B10CYP2A13
SCHEMBL2435935 0.82 NR1H2 (0.70) PDE3BPDE3ANR1H2HSD17B10CYP2A13
SCHEMBL17320454 0.82 NR1H2 (0.51) PDE3BPDE3ANR1H2CYP2C9KDM4E
SCHEMBL10104478 0.82 CNR1 (0.53) PDE3BPDE3AHSD17B10CYP2A13CYP2C9
SCHEMBL30900087 0.82 NR1H2 (0.70) PDE3BPDE3ANR1H2HSD17B10CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 US disclosed
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors MEDSHINE DISCOVERY INC. (CN) 2019-12-31 US disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 US disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (10 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B PDE3B 1376/4885PDE3A 2249/4885NR1H2 4625/4885
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K3, MAP3K20 PDE3B 838/4885PDE3A 752/4885NR1H2 4204/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PDE3B 2104/4885PDE3A 2428/4885NR1H2 193/4885
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 PDE3B 865/4885PDE3A 918/4885NR1H2 4130/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 PDE3B 902/4885PDE3A 957/4885NR1H2 3112/4885
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors FGFR1, FLT1, KDR PDE3B 3592/4885PDE3A 3377/4885NR1H2 2187/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 PDE3B 1977/4885PDE3A 2384/4885NR1H2 1045/4885
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS FGFR1, FLT1, KDR PDE3B 3592/4885PDE3A 3377/4885NR1H2 2187/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B PDE3B 1376/4885PDE3A 2249/4885NR1H2 4625/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 PDE3B 1946/4885PDE3A 1914/4885NR1H2 2807/4885

“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.