SCHEMBL20155963

SCHEMBL20155963

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
PDPK1 O15530 1/20 0.33
TACR1 P25103 2/20 0.33
GRM5 P41594 2/20 0.32
KIF11 P52732 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
PDE10A Q9Y233 1/20 0.31
ELANE P08246 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL20150399 0.95 RXRA (0.34) TACR1GRM5KIF11GPBAR1RXRA
SCHEMBL20156275 0.93 PTGER4 (0.34) PTGER4PDPK1TACR1GRM5KIF11
SCHEMBL20849586 0.90 PTGER4 (0.39) PTGER4PDPK1TACR1GRM5KIF11
SCHEMBL21090888 0.90 GRIN1 (0.35) PDPK1TACR1RXRARXRGGRIN1
SCHEMBL20156216 0.90 RXRA (0.34) PTGER4TACR1GRM5KIF11RXRA
SCHEMBL20150382 0.90 KIF11 (0.42) PTGER4PDPK1GRM5KIF11GPBAR1
SCHEMBL21109745 0.89 KIF11 (0.33) KIF11GPBAR1GRIN1GRIN2BMEN1
SCHEMBL20654896 0.89 KIF11 (0.35) TACR1KIF11RXRAMEN1KMT2A
SCHEMBL20114584 0.89 PTGER4 (0.36) PTGER4PDE10AELANEMEN1KMT2A
SCHEMBL20150357 0.89 PTGER4 (0.33) PTGER4PDPK1GRM5KIF11GPBAR1

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-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

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 PTGER4 1809/4885PDPK1 4159/4885TACR1 1393/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885PDPK1 4159/4885TACR1 1393/4885

“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.