SCHEMBL19741484

SCHEMBL19741484

Cc1ncc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
PSMB5 P28074 1/20 0.35
L3MBTL1 Q9Y468 5/20 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
SCHEMBL20173635 0.88 KMT2A (0.40) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17055533 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2616801 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL20173218 0.82 NPC1 (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2005519 0.80 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12786339 0.80 NPC1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3292244 0.80 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL15975759 0.80 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL19735285 0.79 RAB9A (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12124338 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 11 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-10822330-B2 Heterocyclic compound and organic light emitting diode containing same LG CHEM, LTD. (KR) 2020-11-03 US disclosed
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-13 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 RAB9A 3113/4885NPC1 3214/4885SMN1; SMN2 3766/4885
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 RAB9A 2886/4885NPC1 3805/4885SMN1; SMN2 3949/4885
US-10421721-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 RAB9A 2518/4885NPC1 4040/4885SMN1; SMN2 4259/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 RAB9A 2518/4885NPC1 4040/4885SMN1; SMN2 4259/4885
US-10822330-B2 Heterocyclic compound and organic light emitting diode containing same CRY1, CRY2, PER2 RAB9A 3102/4885NPC1 3951/4885SMN1; SMN2 4371/4885
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 RAB9A 3107/4885NPC1 4171/4885SMN1; SMN2 3912/4885
US-10873035-B2 Heterocyclic compound and organic light emitting diode containing same CRY1, CRY2, PER2 RAB9A 3102/4885NPC1 3951/4885SMN1; SMN2 4371/4885
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, CRY2 RAB9A 2549/4885NPC1 2605/4885SMN1; SMN2 2826/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 RAB9A 2156/4885NPC1 1717/4885SMN1; SMN2 3563/4885

“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.