SCHEMBL23076031

SCHEMBL23076031

S=c1nc(-c2ccccc2)nc2[nH]c3ccccc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.43
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ G6PD P11413 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ RXFP1 Q9HBX9 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 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
SCHEMBL23076319 0.93 ADORA3 (0.39) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL23076318 0.85 MAPT (0.40) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL23076032 0.84 RXFP1 (0.44) ADORA3ALDH1A1MEN1KMT2ARXFP1
SCHEMBL24663015 0.79 PGR (0.36) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL20893214 0.73 KDM4E (0.44) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL20893121 0.71 ADORA2A (0.47) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL20893059 0.71 KDM4E (0.41) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL1698065 0.68 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL23295715 0.68 KDM4E (0.42) ADORA3ALDH1A1KDM4EHPGDMAPT
SCHEMBL18934276 0.68 KDM4E (0.36) ADORA3ALDH1A1KDM4EHPGDMAPT

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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — WO 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 (1 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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ADORA3 3079/4885ALDH1A1 473/4885KDM4E 1889/4885

“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.

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