SCHEMBL20150302

SCHEMBL20150302

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)ccc4C#N)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
NR1I3 Q14994 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
CTRB1 P17538 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
IMPDH2 P12268 1/20 0.35
RAB9A P51151 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL20150306 0.96 AR (0.43) ARNR1I3KDM4EMAPTELANE
SCHEMBL20150310 0.93 GRIN1 (0.33) ARKDM4EALDH1A1HPGDIMPDH2
SCHEMBL20114523 0.93 ALDH1A1 (0.38) KDM4EL3MBTL1ALDH1A1HPGDMEN1
SCHEMBL20150330 0.93 MAT2A (0.36) KDM4EL3MBTL1ALDH1A1HPGDIMPDH2
SCHEMBL20150324 0.92 AR (0.36) ARKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL20114509 0.92 KDM4E (0.35) KDM4EMAPTF2PLAUELANE
SCHEMBL20114673 0.91 CYP1A2 (0.42) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL20114671 0.91 L3MBTL1 (0.41) KDM4EL3MBTL1ALDH1A1HPGDMEN1
SCHEMBL21116336 0.90 AR (0.47) ARKDM4EMAPTF2PLAU
SCHEMBL21109694 0.90 AR (0.37) ARKDM4EMAPTF2PLAU

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 AR 3892/4885NR1I3 1845/4885KDM4E 2860/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885NR1I3 1845/4885KDM4E 2860/4885

“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.