SCHEMBL29921971

SCHEMBL29921971

CN(C)c1ccc(N)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 1.00
NEK2 P51955 1/20 1.00
LIMK1 P53667 1/20 1.00
DYRK1A Q13627 1/20 1.00
CLK4 Q9HAZ1 1/20 1.00
EP300 Q09472 3/20 0.55
KAT8 Q9H7Z6 3/20 0.55
KAT2B Q92831 2/20 0.55
CA2 P00918 1/20 0.48
IDO1 P14902 2/20 0.47
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PABPC1 P11940 1/20 0.43
MAPT P10636 3/20 0.42

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
SCHEMBL4078292 1.00 CHEK1 (1.00) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2886998 0.88 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL31689542 0.88 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29922382 0.88 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL12070545 0.87 CHEK1 (0.76) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL12070546 0.87 CHEK1 (0.76) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29919884 0.85 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8990307 0.85 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8720110 0.80 CHEK1 (0.65) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL27613656 0.79 CA2 (0.64) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447507-B2 Sulfur scavenging materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-09-20 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-11447507-B2 Sulfur scavenging materials TST, MPST, MGMT CHEK1 2794/4885NEK2 3588/4885LIMK1 4006/4885

“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.