SCHEMBL21929614

SCHEMBL21929614

N#Cc1ccnc(-c2ccccc2-c2ccccc2N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GRM5 P41594 7/20 0.34
LMNA P02545 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL21927636 0.95 GRM5 (0.35) HCRTR1HCRTR2GRM5LMNAPGR
SCHEMBL21927943 0.88 TGFBR1 (0.38) HCRTR1HCRTR2GRM5LMNAPGR
SCHEMBL21927653 0.86 GRM5 (0.37) GRM5LMNAPGRCHRM2HTR1A
SCHEMBL21927265 0.85 GRM5 (0.38) GRM5MAPTALDH1A1KDM4ETSHR
SCHEMBL21927269 0.84 GRM5 (0.39) HCRTR1HCRTR2GRM5KDM4CMAPT
SCHEMBL21927288 0.82 GRM5 (0.34) HCRTR1HCRTR2GRM5KCNH2KDM4C
SCHEMBL21929616 0.81 EGLN2 (0.39) GRM5LMNAPGRCHRM2HTR1A
SCHEMBL21928003 0.81 PGR (0.37) HCRTR1HCRTR2GRM5PGRKCNH2
SCHEMBL21928123 0.79 MYC (0.36) MAPK1KDM1AMAPTALDH1A1MEN1
SCHEMBL21928176 0.78 GRM5 (0.41) HCRTR1HCRTR2GRM5KDM4CMAPT

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 HCRTR1 217/4885HCRTR2 340/4885GRM5 4162/4885

“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.