SCHEMBL21923809

SCHEMBL21923809

c1ccc(-c2cc3nc(-c4ccccc4)c(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc6ccccc6cc54)nc3cc2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DHODH Q02127 1/20 0.33
SGK1 O00141 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL21923585 0.98 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21923589 0.98 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21923586 0.98 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21923601 0.95 ADORA2A (0.35) ADORA2AADORA1KDM4EPIK3CAMAPK8
SCHEMBL21923781 0.95 KDM4E (0.35) KDM4ELMNASMN1; SMN2PIK3CDPIK3CA
SCHEMBL21923592 0.95 ADORA2A (0.36) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21923807 0.92 HTR2B (0.34) ADORA2AADORA1PIK3CAMAPK8MAPK9
SCHEMBL21923780 0.92 ESR1 (0.33) KDM4ELMNASMN1; SMN2PIK3CADHODH
SCHEMBL21924489 0.92 ADORA2A (0.36) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21213448 0.92 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 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-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP1A1 ADORA2A 4431/4885ADORA1 2648/4885KDM4E 1216/4885

“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.