SCHEMBL12215977

SCHEMBL12215977

c1cncc(-c2nccc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.55
▸ CYP11B1 P15538 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CYP2A6 P11509 6/20 0.51
▸ IDO1 P14902 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL29355071 1.00 TDO2 (0.55) TDO2CYP11B1KDM4ERAB9ANPC1
SCHEMBL17413754 0.89 CYP11B1 (0.53) TDO2CYP11B1KDM4ERAB9ANPC1
SCHEMBL23542935 0.83 KDM4E (0.48) TDO2CYP11B1KDM4ERAB9ANPC1
SCHEMBL23542989 0.83 KDM4E (0.48) TDO2CYP11B1KDM4ERAB9ANPC1
SCHEMBL29398625 0.83 KDM4E (0.66) TDO2KDM4ERAB9ANPC1MAPT
SCHEMBL50715 0.83 KDM4E (0.66) TDO2KDM4ERAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL3320794 0.81 KDM4E (0.64) TDO2KDM4ERAB9ANPC1MAPT
SCHEMBL1686110 0.81 KDM4E (0.64) TDO2KDM4ERAB9ANPC1MAPT
SCHEMBL29489796 0.81 KDM4E (0.64) TDO2KDM4ERAB9ANPC1MAPT
SCHEMBL347181 0.81 KDM4E (0.64) TDO2KDM4ERAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922408-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2018-04-17 — — CN disclosed
CN-107531589-A Trka kinase inhibitors GVK生物科技私人有限公司 2018-01-02 — — CN disclosed
US-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 — — US disclosed
US-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 — — US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 — — US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 — — US disclosed
US-8039123-B2 Phosphorescent heteronuclear copper(I)-iridium(III) complex and organic electroluminescence device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-18 — — US disclosed
US-20070267959-A1 Phosphorescent heteronuclear copper(I)-iridium(III) complex and organic electroluminescence device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-11-22 — — 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 (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-20070267959-A1 Phosphorescent heteronuclear copper(I)-iridium(III) complex and organic electroluminescence device using the same ORC3, AP3M1, PUF60 TDO2 3911/4885CYP11B1 4452/4885KDM4E 3707/4885

“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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