SCHEMBL20150344

SCHEMBL20150344

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4ccccc4C)ccc3c3ccc(-c4ccccc4C)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
AR P10275 1/20 0.36
TRPA1 O75762 1/20 0.34
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2C19 P33261 2/20 0.33
CHEK1 O14757 1/20 0.33
SMYD2 Q9NRG4 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 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
SCHEMBL20114652 0.97 PTGER4 (0.36) CYP11B1CYP11B2ARTRPA1PTGER4
SCHEMBL20115006 0.92 CYP11B1 (0.37) CYP11B1CYP11B2ARTRPA1PTGER4
SCHEMBL20150352 0.89 CYP11B1 (0.37) CYP11B1CYP11B2PTGER4CHEK1S1PR1
SCHEMBL20114543 0.89 CHEK1 (0.36) CYP11B1CYP11B2PTGER4ALDH1A1CYP1A2
SCHEMBL20114687 0.89 PTGER4 (0.35) CYP11B1CYP11B2PTGER4CHEK1PDE10A
SCHEMBL20150372 0.89 CYP11B2 (0.34) CYP11B1CYP11B2PTGER4ALDH1A1CYP1A2
SCHEMBL20115008 0.89 PTGER4 (0.36) CYP11B1CYP11B2ARTRPA1PTGER4
SCHEMBL22268532 0.89 CYP11B1 (0.35) CYP11B1CYP11B2ARTRPA1PTGER4
SCHEMBL22562984 0.88 AR (0.36) CYP11B1CYP11B2ARTRPA1PTGER4
SCHEMBL20150371 0.88 PTGER4 (0.38) CYP11B1CYP11B2PTGER4ALDH1A1CYP1A2

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 3 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
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 CYP11B1 1765/4885CYP11B2 1259/4885AR 3892/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP11B1 1765/4885CYP11B2 1259/4885AR 3892/4885

“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.