SCHEMBL18325359

SCHEMBL18325359

Cc1ccc(-c2cc(-c3ccc(-c4cnccn4)cc3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ AGTR1 P30556 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP2A6 P11509 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
SCHEMBL18325203 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18325346 0.97 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18325229 0.97 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2303238 0.94 CYP2D6 (0.43) MEN1KMT2AALDH1A1TDP1DHODH
SCHEMBL18327595 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327322 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16189379 0.91 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327361 0.90 CYP19A1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18325228 0.89 PIM2 (0.42) ALDH1A1DHODHCYP3A4CYP2C9CYP19A1
SCHEMBL19039862 0.89 GABRA1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD

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-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 — — US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 — — 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 MEN1 210/4885KMT2A 3381/4885ALDH1A1 200/4885

“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.

Send feedback