SCHEMBL21945897

SCHEMBL21945897

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)nc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ MEN1 O00255 2/20 0.38

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
SCHEMBL19397425 1.00 DHODH (0.42) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL22113764 0.97 DHODH (0.44) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397486 0.97 DHODH (0.44) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397309 0.97 CYP19A1 (0.45) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397533 0.96 CYP19A1 (0.45) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397371 0.93 DHODH (0.46) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL17853520 0.93 DHODH (0.46) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397588 0.93 DHODH (0.44) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL21945892 0.91 CYP19A1 (0.46) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397651 0.91 CYP19A1 (0.46) DHODHCYP19A1MAPTKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200127211-A1 PHENYL BIPHENYLPYRIMIDINE COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2020-04-23 — — 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-20200127211-A1 PHENYL BIPHENYLPYRIMIDINE COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DPYD, NUDT1, PNP DHODH 281/4885CYP19A1 697/4885MAPT 4095/4885

“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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