SCHEMBL10000551

SCHEMBL10000551

Cc1ccccc1-c1ncccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ AR P10275 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL12946411 0.83 TSHR (0.48) TSHRLMNALRRK2ALDH1A1HPGD
SCHEMBL10000616 0.82 CYP2A6 (0.42) TSHRLRRK2ALDH1A1HPGDCNR2
SCHEMBL25392183 0.80 SQOR (0.44) TSHRLMNAALDH1A1HPGDCYP11B2
SCHEMBL8311135 0.80 HPGD (0.43) TSHRALDH1A1HPGDCYP11B2CNR2
SCHEMBL3291080 0.79 DPP4 (0.53) LRRK2ARALDH1A1CYP11B2ADORA2A
SCHEMBL3296198 0.79 CHUK (0.45) ALDH1A1HPGDCYP11B2ADORA2AADORA1
SCHEMBL4160810 0.79 CYP2A6 (0.52) ADORA2ANPC1CASP3RAB9ASMN1; SMN2
SCHEMBL31267979 0.79 CNR2 (0.49) TSHRLRRK2ALDH1A1HPGDCYP11B2
SCHEMBL3293427 0.79 ALDH1A1 (0.47) LMNAARALDH1A1HPGDADORA2A
SCHEMBL28652835 0.78 GCK (0.42) LMNAALDH1A1HPGDCNR2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 — — US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 — — US disclosed
EP-2721019-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-04-23 — — EP disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 — — WO disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 — — 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 TSHR 2320/4885LMNA 3816/4885LRRK2 203/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 TSHR 2320/4885LMNA 3816/4885LRRK2 203/4885

“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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