SCHEMBL10075587

SCHEMBL10075587

N#Cc1c(F)cccc1-n1cccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
MAPT P10636 1/20 0.74
CYP1A2 P05177 3/20 0.62
CYP2C19 P33261 3/20 0.62
KDM4E B2RXH2 6/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
GAA P10253 2/20 0.47
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
MGLL Q99685 1/20 0.33

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
SCHEMBL13824739 0.77 CYP1A2 (1.00) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL14760393 0.77 ALDH1A1 (0.74) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL3453544 0.77 ALDH1A1 (0.74) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL186269 0.76 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL16680613 0.74 KDM4E (0.51) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL8569982 0.74 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2824331 0.74 KDM4E (0.44) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL16680797 0.74 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL1154557 0.73 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL16793536 0.73 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
EP-2668187-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 EP disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
WO-2012084804-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 WO disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN 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-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES GABBR1, CYP1B1, GABBR2 ALDH1A1 296/4885MAPT 2930/4885CYP1A2 23/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885MAPT 3862/4885CYP1A2 407/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885MAPT 3862/4885CYP1A2 407/4885

“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.