SCHEMBL17853576

SCHEMBL17853576

c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6ccncc6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)c3ccccc3cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ PRKCH P24723 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ MAPK9 P45984 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
SCHEMBL17853574 0.93 DHODH (0.40) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL24812015 0.90 KMT2A (0.44) KMT2AMAPTCYP2C19NPSR1KDM4E
SCHEMBL17853489 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL19397645 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL19397642 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL17853567 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL17853562 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL17853550 0.89 MAPT (0.45) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL17853577 0.89 DHODH (0.42) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL17853500 0.88 KMT2A (0.40) KMT2AMAPTCYP1A2POLBCYP3A4

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 KMT2A 1111/4885MAPT 2833/4885CYP1A2 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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