SCHEMBL20209699

SCHEMBL20209699

Cc1c2ccccc2nn1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
NUDT1 P36639 1/20 0.39
GPR3 P46089 2/20 0.39
BACE1 P56817 1/20 0.38
NCF1 P14598 1/20 0.38
MPO P05164 3/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL147219 0.76 SLC9A1 (0.43) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL20225759 0.74 MPO (0.40) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL19819749 0.74 MPO (0.42) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL18294577 0.71 MPO (0.61) KDM4EALDH1A1CYP1A2HPGDMPO
SCHEMBL17616025 0.71 MPO (0.61) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL2914480 0.67 MAPT (0.46) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL12926036 0.66 SLC34A1 (0.60) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL9927339 0.66 CYP1A2 (0.43) KDM4ETSHRALDH1A1CYP1A2GPR3
SCHEMBL3652714 0.65 GLS (0.50) KDM4EHSD17B10TSHRALDH1A1CYP1A2
SCHEMBL8682362 0.65 KMT2A (0.43) KDM4ETSHRALDH1A1HPGDMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-06-07 US disclosed
US-20180148464-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-31 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 (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-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES POLR1G, ITPA, ERCC5 KDM4E 4685/4885HSD17B10 4582/4885TSHR 1713/4885
US-20180148464-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO KDM4E 2613/4885HSD17B10 3924/4885TSHR 2799/4885

“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.