SCHEMBL3762977

SCHEMBL3762977

CC1(C)OB(c2cc(C#N)cc(N3CCN(C(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
EGLN2 Q96KS0 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CHRM4 P08173 2/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
PANK3 Q9H999 1/20 0.33
ADAM17 P78536 1/20 0.32
LMNA P02545 1/20 0.32
RORC P51449 1/20 0.32
ROCK1 Q13464 1/20 0.31
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3754452 0.85 EGLN2 (0.47) EGLN2LMNA
SCHEMBL12372521 0.84 DRD2 (0.33) FFAR4DRD2DRD3
SCHEMBL26096880 0.82 CHRM2 (0.35) FFAR4CHRM4NOTUM
SCHEMBL3758304 0.82 ADAMTS5 (0.42) FFAR4ADAMTS5LMNAROCK1
SCHEMBL31125907 0.82 KDM4E (0.38) EGLN2SLC6A9SLC6A5LMNA
SCHEMBL3758875 0.82 KDM4E (0.38) EGLN2SLC6A9SLC6A5LMNA
SCHEMBL3753458 0.81 ALK (0.37) FFAR4DRD2DRD3NOTUM
SCHEMBL14158793 0.80 HTT (0.42) FFAR4ADAMTS5LMNAPOLB
SCHEMBL2277332 0.80 EGLN2 (0.35) FFAR4EGLN2
SCHEMBL901893 0.78 USP2 (0.42) LMNAROCK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 FFAR4 4624/4885EGLN2 1971/4885DRD2 3431/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 FFAR4 4624/4885EGLN2 1971/4885DRD2 3431/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 FFAR4 4624/4885EGLN2 1971/4885DRD2 3431/4885

“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.