SCHEMBL17853574

SCHEMBL17853574

c1ccc2c(-c3nc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c3ccccc3cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PRKCH P24723 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL17853576 0.93 KMT2A (0.40) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL24810938 0.90 KDM4E (0.46) DHODHMAPTKMT2ANPSR1KDM4E
SCHEMBL17853580 0.89 MAPT (0.41) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL17853573 0.88 DHODH (0.44) DHODHMAPTCYP2C9CYP1A2CYP3A4
SCHEMBL21973998 0.88 L3MBTL1 (0.41) DHODHMAPTKMT2ANPSR1KDM4E
SCHEMBL17853581 0.86 DHODH (0.39) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL17853572 0.86 DHODH (0.41) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL17853567 0.86 MAPT (0.45) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL17853562 0.86 MAPT (0.45) DHODHMAPTCYP2C9KMT2ACYP1A2
SCHEMBL19397645 0.86 MAPT (0.45) DHODHMAPTCYP2C9KMT2ACYP1A2

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 3921/4885MAPT 2833/4885CYP2C9 1009/4885

“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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