SCHEMBL20114693

SCHEMBL20114693

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.36
CSNK1G2 P78368 5/20 0.35
CCR9 P51686 1/20 0.35
KIF11 P52732 1/20 0.35
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
CASP3 P42574 1/20 0.33
NR1I2 O75469 1/20 0.32
PTGER4 P35408 1/20 0.32
SETDB1 Q15047 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
CRHR1 P34998 1/20 0.31
CYP11B2 P19099 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
SCHEMBL20150377 0.95 PTGER4 (0.36) CSNK1DCSNK1G2CCR9KIF11CSNK1A1
SCHEMBL20114529 0.91 CSNK1D (0.36) CSNK1DCSNK1G2CCR9KIF11CSNK1A1
SCHEMBL20150383 0.90 GRM5 (0.37) KIF11
SCHEMBL20114573 0.89 CASP3 (0.38) CASP3SETDB1CRHR1
SCHEMBL20150337 0.86 PTGER4 (0.36) CSNK1DCSNK1G2CCR9KIF11CSNK1A1
SCHEMBL20150376 0.86 ITK (0.36) CSNK1DCSNK1G2CSNK1A1GSK3BCASP3
SCHEMBL21090897 0.86 GABRA1 (0.38) CSNK1DCSNK1G2CCR9KIF11CSNK1A1
SCHEMBL20150382 0.85 KIF11 (0.42) KIF11PTGER4
SCHEMBL21108052 0.85 ALDH1A1 (0.33) CSNK1DCSNK1G2
SCHEMBL20150412 0.85 CASP3 (0.35) CASP3PTGER4SETDB1CRHR1CYP11B2

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 4 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
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 CSNK1D 1745/4885CSNK1G2 1194/4885CCR9 418/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CSNK1D 1745/4885CSNK1G2 1194/4885CCR9 418/4885

“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.