SCHEMBL20114526

SCHEMBL20114526

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK1 O14757 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ALDH1A3 P47895 2/20 0.33
GABRA1 P14867 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
SCHEMBL20114643 0.97 PTGER4 (0.39) PTGER4MEN1KMT2AATMCHEK1
SCHEMBL20114543 0.97 CHEK1 (0.36) PTGER4MEN1KMT2AATMCYP1A2
SCHEMBL20156124 0.95 CYP1A2 (0.38) PTGER4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL20114689 0.95 PTGER4 (0.36) PTGER4MEN1KMT2AATMCHEK1
SCHEMBL20114690 0.94 CYP1A2 (0.40) PTGER4MEN1KMT2AATMCYP1A2
SCHEMBL20150371 0.94 PTGER4 (0.38) PTGER4MEN1KMT2AATMCYP1A2
SCHEMBL20114546 0.93 PTGER4 (0.37) PTGER4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL20114554 0.93 PTGER4 (0.36) PTGER4MEN1KMT2AATMCYP1A2
SCHEMBL20114553 0.92 PTGER4 (0.36) PTGER4MEN1KMT2AATMCHEK1
SCHEMBL22268457 0.92 ABCG2 (0.40) PTGER4MEN1KMT2AATMCYP1A2

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 PTGER4 1809/4885MEN1 2430/4885KMT2A 2180/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885MEN1 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.