SCHEMBL21076112

SCHEMBL21076112

CC(C)n1c2cccc(C#N)c2c2c(C#N)cccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
IMPDH2 P12268 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MAP2K1 Q02750 1/20 0.35
HPGD P15428 4/20 0.34
PGR P06401 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
GRM2 Q14416 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL18030917 0.78 IMPDH2 (0.46) IMPDH2TSHRALDH1A1KDM4EMAP2K1
SCHEMBL21076079 0.73 CA1 (0.39) ARIMPDH2TSHRALDH1A1KDM4E
SCHEMBL21076115 0.73 ALDH1A1 (0.43) ARIMPDH2ALDH1A1KDM4EHPGD
SCHEMBL22148770 0.73
SCHEMBL24237299 0.71 ALDH1A1 (0.41) TSHRALDH1A1KDM4EHPGDPOLB
SCHEMBL18893250 0.71 ALDH1A1 (0.43) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL20115834 0.70 TSHR (0.48) IMPDH2TSHRALDH1A1KDM4EMAP2K1
SCHEMBL18030919 0.67 GPR3 (0.52) IMPDH2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL22148484 0.66 CYP2A6 (0.42) ARIMPDH2KDM4EHPGDPOLB
SCHEMBL807524 0.66 TSHR (0.46) IMPDH2TSHRALDH1A1KDM4EMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 US disclosed
US-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 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 (4 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA AR 4237/4885IMPDH2 1661/4885TSHR 4747/4885
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA AR 4237/4885IMPDH2 1661/4885TSHR 4747/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 AR 3718/4885IMPDH2 1336/4885TSHR 4573/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA AR 4237/4885IMPDH2 1661/4885TSHR 4747/4885

“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.