SCHEMBL15895263

SCHEMBL15895263

Cc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(C#N)c2ccccc12)C4(C)C)C(C)(C)c1cc(C#N)c2ccccc2c1-3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.35
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
NSD2 O96028 1/20 0.31
ALK Q9UM73 2/20 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
SCHEMBL15895348 0.87 IMPDH2 (0.36) NCOA3IMPDH2IMPDH1TSHRAR
SCHEMBL15895804 0.87 MAOA (0.34) NCOA3IMPDH2IMPDH1
SCHEMBL18054893 0.87 MAOA (0.34) NCOA3IMPDH2IMPDH1
SCHEMBL15895408 0.83 PDK2 (0.34) NCOA3IMPDH2IMPDH1ARNSD2
SCHEMBL15895318 0.83 PDK2 (0.34) NCOA3IMPDH2IMPDH1ARNSD2
SCHEMBL15895806 0.80 AR (0.33) NCOA3IMPDH2IMPDH1ARALK
SCHEMBL15895807 0.80 AR (0.33) NCOA3IMPDH2IMPDH1AR
SCHEMBL15895345 0.80 NSD2 (0.32) NCOA3IMPDH2IMPDH1ARNSD2
SCHEMBL15895419 0.79 ALK (0.31) NCOA3IMPDH2IMPDH1ALK
SCHEMBL15895349 0.79 ALK (0.33) NCOA3IMPDH2IMPDH1ARNSD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10559756-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-02-11 US disclosed
US-20160254456-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
WO-2014111269-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-24 WO 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-20160254456-A1 Materials for Electronic Devices FHIT, TEC, EED NCOA3 2848/4885IMPDH2 2270/4885IMPDH1 2997/4885
US-10559756-B2 Materials for electronic devices TEC, EFNA1, BMI1 NCOA3 3332/4885IMPDH2 1985/4885IMPDH1 2015/4885

“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.