SCHEMBL20849035

SCHEMBL20849035

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PTGER4 P35408 1/20 0.32
TGFBR1 P36897 1/20 0.32
MAT2A P31153 1/20 0.31
ACP1 P24666 1/20 0.31
SCN9A Q15858 1/20 0.31
ELANE P08246 1/20 0.30
AR P10275 1/20 0.30
NSD2 O96028 1/20 0.30
GRM5 P41594 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL20849134 0.97 PTGER4 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849141 0.96 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849144 0.96 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849474 0.95 PTGER4 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849132 0.93 PTGER4 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849146 0.93 PTGER4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849473 0.92 PTGER4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21399523 0.92 PTGER4 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22985243 0.91 NSD2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20849129 0.90 CYP1A2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PSEN1 3931/4885PSEN2 3689/4885APH1B 3037/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PSEN1 3931/4885PSEN2 3689/4885APH1B 3037/4885

“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.