SCHEMBL21397085

SCHEMBL21397085

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 4/20 0.33
USP14 P54578 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4D Q6B0I6 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 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
SCHEMBL21378060 0.90 ALDH1A1 (0.34) PDE10AALDH1A1CYP2C19TSHRELANE
SCHEMBL21378041 0.90 PDE9A (0.35) PDE10AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21396835 0.90 ALDH1A1 (0.37) ALDH1A1CYP2C19TSHRNTRK1PIM1
SCHEMBL21397098 0.89 PDE9A (0.40) AKR1C4AKR1C3AKR1C2AKR1C1PDE9A
SCHEMBL21396827 0.85 ALDH1A1 (0.38) ALDH1A1CYP2C19TSHRELANEUSP14
SCHEMBL21397113 0.85 ALDH1A1 (0.37) PDE10APDE9APDE1CALDH1A1CYP2C19
SCHEMBL21396598 0.85 ALDH1A1 (0.37) PDE10APDE9APDE1CALDH1A1CYP2C19
SCHEMBL21396826 0.85 CYP11B2 (0.38) PDE10AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21377976 0.84 ALDH1A1 (0.35) ALDH1A1CYP2C19TSHRNTRK1PIM1
SCHEMBL19909047 0.83 CYP11B2 (0.38) PDE9APDE1CALDH1A1ELANECYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 PDE10A 3833/4885AKR1C4 3938/4885AKR1C3 3798/4885

“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.