SCHEMBL17853639

SCHEMBL17853639

Cc1ccncc1-c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.51
▸ CYP17A1 P05093 8/20 0.42
▸ CYP1A2 P05177 8/20 0.42
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ABL1 P00519 2/20 0.36

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
SCHEMBL15832252 0.85 MAOA (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL17853499 0.85 DHODH (0.43) DHODHCYP17A1CYP1A2MEN1KMT2A
SCHEMBL17853627 0.84 TNF (0.42) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL19397662 0.84 KMT2A (0.43) DHODHCYP1A2MEN1KMT2AALDH1A1
SCHEMBL17853622 0.84 KMT2A (0.43) DHODHCYP1A2MEN1KMT2AALDH1A1
SCHEMBL19397660 0.84 KMT2A (0.43) DHODHCYP1A2MEN1KMT2AALDH1A1
SCHEMBL17853614 0.84 PRKCZ (0.45) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL17853641 0.83 SLC2A1 (0.42) DHODHCYP1A2MEN1KMT2AALDH1A1
SCHEMBL17853612 0.83 DHODH (0.48) DHODHCYP17A1CYP1A2MEN1KMT2A
SCHEMBL17853603 0.83 DHODH (0.48) DHODHCYP17A1CYP1A2MEN1KMT2A

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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 (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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 DHODH 3921/4885CYP17A1 1655/4885CYP1A2 1276/4885

“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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