SCHEMBL12386965

SCHEMBL12386965

Cc1ccc(-c2cncc3ccccc23)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.51
▸ CYP11B1 P15538 10/20 0.51
▸ CCR1 P32246 1/20 0.48
▸ CCR5 P51681 1/20 0.48
▸ CCR8 P51685 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ PRKCZ Q05513 1/20 0.46
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CYP17A1 P05093 2/20 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
SCHEMBL13134510 0.83 CYP11B1 (0.52) CYP11B2CYP11B1CCR1CCR5CCR8
SCHEMBL12386964 0.81 CNR1 (0.49) CYP11B2CYP11B1CCR1CCR5CCR8
SCHEMBL2300302 0.80 CYP11B2 (0.51) CYP11B2CYP11B1CNR1CNR2PRKCZ
SCHEMBL12428417 0.80 CYP11B2 (0.51) CYP11B2CYP11B1CNR1CNR2PRKCZ
SCHEMBL12676858 0.77 CYP11B2 (0.51) CYP11B2CYP11B1CCR1CCR5CCR8
SCHEMBL12386960 0.77 PRKCZ (0.69) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL23555363 0.76 PRKCZ (0.67) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL20873080 0.76 NPC1 (0.54) CYP11B2CYP11B1CNR1CNR2PRKCZ
SCHEMBL1445121 0.76 CYP11B2 (0.50) CYP11B2CYP11B1CNR1CNR2PRKCZ
SCHEMBL20873066 0.75 PRKCZ (0.64) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2

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-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 — — US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 — — 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-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 CYP11B2 1254/4885CYP11B1 1323/4885CCR1 2141/4885

“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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