SCHEMBL20156221

SCHEMBL20156221

Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)cc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PGR P06401 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP11B2 P19099 1/20 0.32
MTOR P42345 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL20155976 0.95 ALDH1A1 (0.37) CHEK1PIK3CDPIK3CAPGRALDH1A1
SCHEMBL20115021 0.92 ALDH1A1 (0.35) CHEK1PIK3CDPIK3CAALDH1A1LMNA
SCHEMBL20156219 0.91 CHEK1 (0.38) CHEK1PIK3CDPIK3CAPGRALDH1A1
SCHEMBL20156163 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156141 0.91 TDP2 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156265 0.90 ALDH1A1 (0.39) PGRALDH1A1LMNAHPGDMAPK1
SCHEMBL20114714 0.89 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20150421 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156214 0.88 ALDH1A1 (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20114715 0.88 ALDH1A1 (0.37) PGRALDH1A1LMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 CHEK1 2795/4885PIK3CD 4371/4885PIK3CA 3850/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885PIK3CD 4371/4885PIK3CA 3850/4885

“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.