Sugi Predict

Sugi Predict / Compounds / SCHEMBL19166328

SCHEMBL19166328

SCHEMBL19166328

c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 7/20 0.43
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 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
SCHEMBL19168105 0.93 TOP1 (0.44) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19167621 0.93 TOP1 (0.41) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19166327 0.93 TOP1 (0.44) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19166910 0.93 TOP1 (0.44) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19168143 0.93 TOP1 (0.41) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19167023 0.93 MAPT (0.38) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19166540 0.92 TOP1 (0.43) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19486893 0.90 TOP1 (0.39) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19167085 0.89 TOP1 (0.42) TOP1CCR1CCR5CCR8TSHR
SCHEMBL19167406 0.88 TOP1 (0.40) TOP1CCR1CCR5CCR8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-10-06 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — 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 (2 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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device RER1, RBM12, H1-2 TOP1 3826/4885CCR1 355/4885CCR5 2075/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 TOP1 3826/4885CCR1 355/4885CCR5 2075/4885

“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.