Sugi Predict

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SCHEMBL19938252

SCHEMBL19938252

c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2c3c(cc3c2ccc2ccccc23)N4c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.35
▸ HPRT1 P00492 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31

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
SCHEMBL22139278 0.93 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TDP1HPRT1
SCHEMBL19938257 0.91 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL22146723 0.89 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19TDP1HPRT1
SCHEMBL19938294 0.86 CES2 (0.32) ALDH1A1POLB
SCHEMBL19938960 0.86 CES2 (0.35) ALDH1A1HPGD
SCHEMBL19938228 0.83 POLB (0.31) POLB
SCHEMBL21863191 0.82 TDP1 (0.41) CYP1A2CYP2C9CYP2C19TDP1HPRT1
SCHEMBL21863187 0.82 TDP1 (0.41) CYP1A2CYP2C9CYP2C19TDP1HPRT1
SCHEMBL19938998 0.82 CES1 (0.30) —
SCHEMBL19938990 0.82 CES1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 — — US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 — — US disclosed
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-09 — — US disclosed
US-10686141-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-16 — — US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 — — US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 — — 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 (4 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-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885

“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.