SCHEMBL7004173

SCHEMBL7004173

O=C(O)Cc1cn2nc(Cl)ccc2n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR3 P49682 1/20 0.41
AKR1B1 P15121 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2920114 0.86 DRD2 (0.46) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL6616907 0.82 DRD2 (0.46) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL22276005 0.81 GABRP (0.44) DRD2DRD4DRD3HTR1AADRA1D
Hydrochloric Acid SCHEMBL29392661 0.80 GABRP (0.43) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL6618313 0.80 KDM4E (0.44) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL29277966 0.80 DRD2 (0.51) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL22276003 0.79 DYRK1A (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL22275958 0.78 RIPK1 (0.44) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL297697 0.78 DRD2 (0.52) DRD2DRD4DRD3HTR1AADRA1D
Hydrochloric Acid SCHEMBL29392232 0.78 DYRK1A (0.40) KDM4EALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635992-B Tricyclic heterocyclic compounds useful as TNF inhibitors 百时美施贵宝公司 2020-05-22 CN disclosed
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-04 US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 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 (2 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-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF TNF, TNFRSF1A, TNFRSF9 DRD2 704/4885DRD4 1052/4885DRD3 252/4885
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF TNF, TNFRSF1A, TNFRSF9 DRD2 704/4885DRD4 1052/4885DRD3 252/4885

“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.