SCHEMBL20413208

SCHEMBL20413208

Cc1cc(-c2cccc(-c3cncnc3)c2)ccc1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ NPY5R Q15761 2/20 0.32
▸ ICMT O60725 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAC2 P15153 1/20 0.30
▸ RAC3 P60763 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ RAC1 P63000 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL19269229 0.97 NPY5R (0.32) TSPOATMNPY5RICMTTP53
SCHEMBL19269223 0.97 NPY5R (0.32) TSPOATMNPY5RICMTTP53
SCHEMBL19269236 0.97 NPY5R (0.33) TSPOATMNPY5RICMTTP53
SCHEMBL19269228 0.96 TSPO (0.34) TSPOATMNPY5RICMTTP53
SCHEMBL19269924 0.94 ICMT (0.35) ATMICMTTP53BRD4
SCHEMBL19270765 0.93 ATM (0.36) ATMICMTTP53BRD4
SCHEMBL19270046 0.90 ATM (0.33) TSPOATMNPY5RICMTRAC2
SCHEMBL19270017 0.89 RAC2 (0.31) TSPOATMTP53RAC2RAC3
SCHEMBL19268561 0.86 ATM (0.33) ATMNPY5RICMTRAC2RAC3
SCHEMBL19269982 0.86 TSPO (0.33) TSPONPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 TSPO 3985/4885ATM 3591/4885NPY5R 4071/4885

“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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