SCHEMBL20114529

SCHEMBL20114529

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.36
CCR9 P51686 1/20 0.35
KIF11 P52732 1/20 0.35
CSNK1G2 P78368 5/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
NR1I2 O75469 1/20 0.34
PTGER4 P35408 1/20 0.32
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
SCHEMBL20150337 0.95 PTGER4 (0.36) CSNK1DCCR9KIF11CSNK1G2CSNK1A1
SCHEMBL22268456 0.91 CSNK1D (0.36) CSNK1DCCR9KIF11CSNK1G2CSNK1A1
SCHEMBL20114693 0.91 CSNK1D (0.36) CSNK1DCCR9KIF11CSNK1G2CSNK1A1
SCHEMBL20156271 0.90 GRM5 (0.37) KIF11
SCHEMBL20114538 0.89 TDP2 (0.34) CYP11B2
SCHEMBL20150341 0.86 HCRTR1 (0.35) KIF11
SCHEMBL20150377 0.86 PTGER4 (0.36) CSNK1DCCR9KIF11CSNK1G2CSNK1A1
SCHEMBL21108749 0.86 KIF11 (0.36) CSNK1DCCR9KIF11CSNK1G2CSNK1A1
SCHEMBL20114637 0.86 ITK (0.38) CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL20114533 0.85 KIF11 (0.42) KIF11PTGER4

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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 1745/4885CCR9 418/4885KIF11 2577/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CSNK1D 1745/4885CCR9 418/4885KIF11 2577/4885

“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.