SCHEMBL19903662

SCHEMBL19903662

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.33
PTGER4 P35408 3/20 0.33
AR P10275 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CNR2 P34972 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22822467 0.95 PTGER4 (0.35) XDHPTGER4ARGPBAR1PSEN1
SCHEMBL19903643 0.95 XDH (0.34) XDHARPSEN1PSEN2APH1B
SCHEMBL19917815 0.94 XDH (0.33) XDHARGPBAR1PSEN1PSEN2
SCHEMBL19917955 0.94 PTGER4 (0.33) XDHPTGER4ARGPBAR1PSEN1
SCHEMBL22822344 0.90 RXRA (0.35) XDHGPBAR1PSEN1PSEN2APH1B
SCHEMBL19903641 0.90 XDH (0.34) XDHCNR2ABCG2MEN1CYP1A2
SCHEMBL19903583 0.90 CTSS (0.33) XDHARPSEN1PSEN2APH1B
SCHEMBL22822263 0.90 PTGER4 (0.35) XDHPTGER4ARGPBAR1PSEN1
SCHEMBL22822465 0.90 GPBAR1 (0.35) XDHPTGER4ARGPBAR1PSEN1
SCHEMBL19912457 0.90 PTGER4 (0.32) XDHPTGER4ARPSEN1PSEN2

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 XDH 91/4885PTGER4 1093/4885AR 4190/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885PTGER4 993/4885AR 4212/4885

“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.