SCHEMBL3582555

SCHEMBL3582555

Cc1cccc(N(C)C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TSHR P16473 3/20 0.41
ACHE P22303 1/20 0.41
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL3383979 0.98 CD44 (0.50) CD44MAPTGAAKDM4ECHEK1
SCHEMBL9754424 0.85 GAA (0.52) CD44MAPTGAAKDM4ECHEK1
SCHEMBL658146 0.84 CD44 (0.50) CD44MAPTGAAKDM4ECHEK1
SCHEMBL11434378 0.78 MAPT (0.42) CD44MAPTGAAKDM4ECHEK1
SCHEMBL9614284 0.78 CHEK1 (0.50) CD44MAPTGAAKDM4ECHEK1
SCHEMBL106244 0.76
SCHEMBL16776729 0.76 CD44 (0.72) CD44GAAKDM4ETSHRACHE
SCHEMBL20421691 0.76 CD44 (0.46) CD44MAPTGAAKDM4ECHEK1
SCHEMBL5708973 0.76 CD44 (0.46) CD44MAPTGAATSHRACHE
SCHEMBL1911943 0.75 MAPT (0.48) MAPTGAAKDM4ECHEK1NEK2

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
CN-1119148-C Use of 'alpha' 1L agonists in treatment of incontinence BOEHRINGER INGELHEIM KG (DE) 2003-08-27 CN disclosed
US-4359398-A Liquid crystal compositions with novel tris-azo dichroic dyes GENERAL ELECTRIC COMPANY (US) 1982-11-16 US disclosed
US-4350603-A Novel tris-azo dyes and liquid crystal compositions made therewith GENERAL ELECTRIC COMPANY (US) 1982-09-21 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 (1 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 CD44 4486/4885MAPT 1426/4885GAA 1653/4885

“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.