SCHEMBL17229481

SCHEMBL17229481

CC1(C)c2cc3ccccc3nc2-c2c1cc(-c1ccc3ccccc3c1)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GSTP1 P09211 1/20 0.36
PDE10A Q9Y233 1/20 0.35
DHFR P00374 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
DHODH Q02127 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2B6 P20813 1/20 0.34
BACE1 P56817 2/20 0.34
HDAC4 P56524 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
SCHEMBL17229489 0.88 KMT2A (0.34) KMT2AADORA2AADORA1DHODHNPC1
SCHEMBL17229465 0.83 KMT2A (0.38) KMT2AADORA2AADORA1GSTP1PDE10A
SCHEMBL17223560 0.83 ADORA2A (0.37) KMT2AADORA2AADORA1GSTP1PDE10A
SCHEMBL17229515 0.82 SIRT2 (0.36) ADORA2AADORA1DHODHNPC1KDM4E
SCHEMBL17229501 0.82 RAB9A (0.39) NPC1RAB9A
SCHEMBL24349510 0.80 KMT2A (0.42) KMT2APDE10AMBNL1NPC1RAB9A
SCHEMBL17229471 0.78 ESR1 (0.38) KMT2AADORA2AADORA1PDE10ADHODH
SCHEMBL17229484 0.77 CCR1 (0.36) KMT2AADORA2AADORA1GSTP1DHFR
SCHEMBL17229480 0.76 CCR1 (0.36) KMT2AADORA2AADORA1GSTP1DHFR
SCHEMBL17229493 0.76 NPC1 (0.35) KMT2ANPC1RAB9ACYP3A4CYP2D6

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-20150318490-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-05 US disclosed
US-20150318490-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-05 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-20150318490-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, CCNA1 KMT2A 2505/4885ADORA2A 4594/4885ADORA1 4212/4885

“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.