SCHEMBL20114543

SCHEMBL20114543

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
PTGER4 P35408 1/20 0.35
ALDH1A3 P47895 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GABRA2 P47869 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL20114526 0.97 PTGER4 (0.37) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL20114562 0.94 CHEK1 (0.40) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL20115133 0.94 L3MBTL1 (0.40) MEN1KMT2AATMPTGER4GABRA1
SCHEMBL20114643 0.94 PTGER4 (0.39) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL20114569 0.93 CLK4 (0.38) CHEK1MEN1KMT2AALDH1A3CYP1A2
SCHEMBL20150346 0.92 CHEK1 (0.36) CHEK1PTGER4ALDH1A1CSNK1A1CSNK1D
SCHEMBL20156124 0.92 CYP1A2 (0.38) CHEK1MEN1KMT2APTGER4ALDH1A3
SCHEMBL20114689 0.92 PTGER4 (0.36) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL20114568 0.91 MAPK14 (0.36) CHEK1MEN1KMT2APTGER4ALDH1A3
SCHEMBL22268463 0.91 ABCG2 (0.42) CHEK1MEN1KMT2AATMALDH1A3

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-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
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 CHEK1 2795/4885MEN1 2430/4885KMT2A 2180/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885MEN1 2430/4885KMT2A 2180/4885

“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.