SCHEMBL19008901

SCHEMBL19008901

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ncc5c(n4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ LTB4R Q15722 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19008909 0.95 PDK2 (0.35) CYP19A1PDK2LTB4RMAPT
SCHEMBL19008889 0.94 CYP19A1 (0.36) CYP19A1PDK2LTB4RCYP1A2CYP3A4
SCHEMBL19008856 0.91 MEN1 (0.34) PDK2CYP1A2CYP3A4GAAMAPT
SCHEMBL19008913 0.89 PDK2 (0.37) CYP19A1PDK2LTB4R
SCHEMBL19008938 0.89 CYP19A1 (0.37) CYP19A1PDK2LTB4RMAPTSMN1; SMN2
SCHEMBL19008924 0.87 CYP19A1 (0.33) CYP19A1PDK2
SCHEMBL19008879 0.87 MEN1 (0.37) MAPTCYP2C19NPSR1
SCHEMBL19008887 0.87 CYP19A1 (0.35) CYP19A1PDK2LTB4RMAPT
SCHEMBL19008908 0.86 CYP19A1 (0.35) CYP19A1PDK2LTB4RCYP1A2CYP3A4
SCHEMBL19008864 0.85 MEN1 (0.36) PDK2CYP1A2CYP3A4GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-29 — — US disclosed
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — 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-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNA1 CYP19A1 61/4885PDK2 1588/4885LTB4R 825/4885
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 CYP19A1 61/4885PDK2 1588/4885LTB4R 825/4885

“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.

Send feedback