SCHEMBL18158664

SCHEMBL18158664

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)sc5ccccc56)c4)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ADORA2A P29274 7/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ HPGD P15428 5/20 0.38
▸ WHR1 P49842 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL18158658 1.00 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL19106397 1.00 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL19497513 1.00 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18158696 1.00 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18017913 0.99 ADORA2A (0.41) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18017891 0.99 ADORA2A (0.41) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18017819 0.99 ADORA2A (0.41) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18017845 0.99 ADORA2A (0.41) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18017927 0.97 ADORA2A (0.40) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18018405 0.97 ADORA2A (0.40) MEN1KMT2AATMADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 — — US disclosed
US-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 — — 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-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 MEN1 838/4885KMT2A 2013/4885ATM 1355/4885
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 MEN1 2593/4885KMT2A 3837/4885ATM 4302/4885

“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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