SCHEMBL24252584

SCHEMBL24252584

c1cncc(-c2cc(-c3cccnc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ CYP11B1 P15538 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CYP2C9 P11712 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL25768841 0.94 CYP19A1 (0.51) CYP19A1CYP11B1DHODHMETAP2SIRT3
SCHEMBL25768838 0.92 CYP19A1 (0.50) CYP19A1CYP11B1DHODHMETAP2SIRT3
SCHEMBL21973743 0.89 CYP11B1 (0.44) CYP11B1CYP11B2CYP2C9MAPTCYP3A4
SCHEMBL17853612 0.89 DHODH (0.48) CYP19A1CYP11B1DHODHCYP11B2CYP2C9
SCHEMBL19276006 0.89 GRM5 (0.41) CYP19A1CYP11B1DHODHCYP11B2CYP2C9
SCHEMBL17853603 0.89 DHODH (0.48) CYP19A1CYP11B1DHODHCYP11B2CYP2C9
SCHEMBL19397671 0.89 DHODH (0.48) CYP19A1CYP11B1DHODHCYP11B2CYP2C9
SCHEMBL20427747 0.89 CYP19A1 (0.57) CYP19A1CYP11B1DHODHMETAP2SIRT3
SCHEMBL25768825 0.88 CYP19A1 (0.61) CYP19A1CYP11B1DHODHMETAP2SIRT3
SCHEMBL17853621 0.88 KMO (0.42) CYP19A1CYP11B1DHODHCYP11B2CYP2C9

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-20220052268-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-02-17 — — 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-20220052268-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC29A1, NUDT1, SLC29A2 CYP19A1 2810/4885CYP11B1 4052/4885DHODH 202/4885

“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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