SCHEMBL5826439

SCHEMBL5826439

Cc1cc2nc(C)c(CCCl)c(Cl)n2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.38
TP53 P04637 2/20 0.37
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 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
SCHEMBL10626008 0.84 DPP4 (0.42) DPP4KDM4EMAOBTP53USP2
SCHEMBL9212340 0.81 NPC1 (0.55) DPP4KDM4EDPP8SMN1; SMN2CYP3A4
SCHEMBL9210449 0.76 ALDH1A1 (0.42) DPP4KDM4EDPP8SMN1; SMN2CYP3A4
SCHEMBL10911457 0.75
SCHEMBL8185998 0.75 PDE10A (0.41) DPP4
SCHEMBL16738973 0.74 KDM4E (0.44) DPP4KDM4EMAOBTP53USP2
SCHEMBL1524326 0.72 KDM4E (0.41) DPP4KDM4EMAOBTP53USP2
SCHEMBL5826398 0.69 NPY1R (0.45) KDM4ETP53MEN1HPGDKMT2A
SCHEMBL1524183 0.69 KDM4E (0.46) DPP4KDM4EMAOBTP53USP2
SCHEMBL10912503 0.69 ALDH1A1 (0.38) DPP4KDM4ESMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141583-B2 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1408040-B1 Tricyclic fused heterocyclic compounds as CRFantagonists EISAI CO LTD (JP) 2005-07-27 EP disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed
EP-0369145-B1 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEM IND INC (JP) 1995-12-27 EP disclosed
US-4992442-A Bronchodilator agents POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1991-02-12 US disclosed
EP-0369145-A2 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1990-05-23 EP 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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 DPP4 3296/4885KDM4E 3439/4885MAOB 1428/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 DPP4 3037/4885KDM4E 4135/4885MAOB 1142/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 DPP4 3037/4885KDM4E 4135/4885MAOB 1142/4885

“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.