SCHEMBL19917815

SCHEMBL19917815

Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4-n4c5ccccc5c5ccc(-c6nc(C)nc(C)n6)cc54)c3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.33
KIF11 P52732 1/20 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
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
SMN1; SMN2 Q16637 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
SCHEMBL22822465 0.95 GPBAR1 (0.35) XDHKIF11ARGPBAR1PSEN1
SCHEMBL20925051 0.95 XDH (0.34) XDHARPSEN1PSEN2APH1B
SCHEMBL19903662 0.94 XDH (0.33) XDHKIF11ARGPBAR1PSEN1
SCHEMBL19903582 0.94 KIF11 (0.33) XDHKIF11ARGPBAR1PSEN1
SCHEMBL19903644 0.90 XDH (0.34) XDHKIF11CNR2ABCG2MEN1
SCHEMBL22822343 0.90 RXRA (0.35) XDHKIF11GPBAR1PSEN1PSEN2
SCHEMBL19903589 0.90 CTSS (0.33) XDHARPSEN1PSEN2APH1B
SCHEMBL22822467 0.90 PTGER4 (0.35) XDHARGPBAR1PSEN1PSEN2
SCHEMBL19912455 0.90 AR (0.31) XDHKIF11ARPSEN1PSEN2
SCHEMBL20617199 0.90 GPBAR1 (0.35) XDHKIF11ARGPBAR1PSEN1

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 2 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
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 XDH 91/4885KIF11 3253/4885AR 4190/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885KIF11 3316/4885AR 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.