SCHEMBL13367462

SCHEMBL13367462

CN(c1cccc(-c2ccccc2)c1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CHKA P35790 4/20 0.40
DHODH Q02127 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
CYP11B1 P15538 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL12047880 0.90 CHKA (0.39) PDE5AABCG2CHKADHODHSIGMAR1
SCHEMBL12048187 0.90 CHKA (0.39) PDE5AABCG2CHKADHODHSIGMAR1
SCHEMBL12048666 0.89 CHKA (0.39) PDE5AABCG2CHKADHODHSIGMAR1
SCHEMBL12048376 0.89 CHKA (0.39) PDE5AABCG2CHKADHODHSIGMAR1
SCHEMBL13367459 0.87 GPR84 (0.41) PDE5AABCG2CHKACYP1A2CYP1B1
SCHEMBL12048720 0.87 TRPM4 (0.41) PDE5ACHKASIGMAR1CYP1B1EGFR
SCHEMBL12048100 0.86 CHKA (0.37) PDE5AABCG2CHKASIGMAR1CYP1A1
SCHEMBL12048072 0.86 SIGMAR1 (0.39) PDE5AABCG2CHKASIGMAR1CYP1A1
SCHEMBL12048344 0.85 PDE5A (0.39) PDE5AABCG2CHKACYP1A2GPR84
SCHEMBL12047845 0.85 PDE5A (0.39) PDE5AABCG2CHKACYP1A2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10873035-B2 Heterocyclic compound and organic light emitting diode containing same LG CHEM, LTD. 2020-12-22 US disclosed
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-13 US disclosed
US-10730812-B2 Double spiro compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-08-04 US disclosed
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-10421721-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2019-09-24 US disclosed
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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 (11 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 PDE5A 3284/4885ABCG2 2972/4885CHKA 4773/4885
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PDE5A 4473/4885ABCG2 2420/4885CHKA 4825/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PDE5A 3284/4885ABCG2 2972/4885CHKA 4773/4885
US-10421721-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 PDE5A 3873/4885ABCG2 2245/4885CHKA 4710/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 PDE5A 3873/4885ABCG2 2245/4885CHKA 4710/4885
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 PDE5A 4323/4885ABCG2 1802/4885CHKA 4353/4885
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 PDE5A 4509/4885ABCG2 2494/4885CHKA 4831/4885
US-10730812-B2 Double spiro compound and organic light-emitting element comprising same NR2E3, CRY1, CRY2 PDE5A 4054/4885ABCG2 2104/4885CHKA 4831/4885
US-10873035-B2 Heterocyclic compound and organic light emitting diode containing same CRY1, CRY2, PER2 PDE5A 3448/4885ABCG2 1748/4885CHKA 4745/4885
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, CRY2 PDE5A 4054/4885ABCG2 2104/4885CHKA 4831/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 PDE5A 3966/4885ABCG2 1826/4885CHKA 4761/4885

“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.