SCHEMBL20114511

SCHEMBL20114511

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.38
SLC22A12 Q96S37 4/20 0.36
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
XDH P47989 2/20 0.34
MAP2K1 Q02750 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL20150297 0.97 ABCG2 (0.38) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL22134594 0.94 ABCG2 (0.35) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL27016218 0.92 ABCG2 (0.37) ABCG2SLC22A12MEN1KMT2AALDH1A1
SCHEMBL27016175 0.92 GABRG2 (0.35) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL27016193 0.91 CYP1A2 (0.42) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL20114666 0.91 ABCG2 (0.39) ABCG2SMN1; SMN2ALDH1A1
SCHEMBL23127511 0.90 ABCG2 (0.40) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL19953866 0.90 ALDH1A1 (0.37) ABCG2TP53SMN1; SMN2MEN1KMT2A
SCHEMBL19942752 0.89 ABCG2 (0.38) ABCG2SLC22A12TP53SMN1; SMN2MEN1
SCHEMBL27016177 0.89 GABRG2 (0.36) ABCG2SLC22A12XDHMAP2K1

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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 ABCG2 2585/4885SLC22A12 2009/4885TP53 4533/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885SLC22A12 2009/4885TP53 4533/4885

“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.