SCHEMBL21085602

SCHEMBL21085602

CCc1nc(-c2ccc3ccccc3c2)c2c(n1)oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.39
▸ MAPT P10636 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 4/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ AHR P35869 1/20 0.36
▸ UTRN P46939 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL27319462 0.86 ALDH1A1 (0.42) TSHRMAPTHTTLMNAKDM4E
SCHEMBL19169964 0.83 HPGD (0.40) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL19161198 0.81 CYP1A2 (0.36) TSHRLMNAKDM4ENPSR1ALDH1A1
SCHEMBL27319465 0.81 CYP1A2 (0.38) TSHRLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL17297628 0.81 TDP1 (0.36) TSHRKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL19428585 0.81 HTR2B (0.39) TSHRKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL18370587 0.77 MEN1 (0.40) MAPTHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL17297599 0.76 ESR1 (0.36) TSHRMAPTLMNAKDM4EALDH1A1
SCHEMBL18370593 0.76 PLA2G2A (0.38) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18370586 0.76 PLA2G2A (0.38) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2

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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 — — US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 — — 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 (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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 TSHR 4646/4885MAPT 1589/4885HTT 3042/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TSHR 4646/4885MAPT 1589/4885HTT 3042/4885

“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.

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