SCHEMBL31355554

SCHEMBL31355554

c1ccc(-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ PDK2 Q15119 3/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP2 O95551 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ VCP P55072 1/20 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
SCHEMBL31355558 1.00 CYP19A1 (0.49) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22227771 1.00 CYP19A1 (0.49) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22372453 1.00 CYP19A1 (0.49) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL31355556 1.00 CYP19A1 (0.49) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL24252611 0.99 PDK2 (0.48) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22037920 0.97 PDK2 (0.46) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22037596 0.96 PDK2 (0.48) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL24252691 0.94 PDK2 (0.46) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22038920 0.94 PDK2 (0.51) CYP19A1PDK2DHODHKDM4ETDP2
SCHEMBL22037409 0.94 PDK2 (0.48) CYP19A1PDK2DHODHKDM4ETDP2

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-12221430-B2 Compound having pyrimidine ring structure and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2025-02-11 — — 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-12221430-B2 Compound having pyrimidine ring structure and organic electroluminescence device SLC29A1, SLC29A2, ADORA1 CYP19A1 1130/4885PDK2 2093/4885DHODH 773/4885

“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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