SCHEMBL3516458

SCHEMBL3516458

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCN4CCOCC4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
NPSR1 Q6W5P4 1/20 0.59
IKBKB O14920 3/20 0.57
CHUK O15111 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
JAK2 O60674 3/20 0.54
HTR7 P34969 2/20 0.53
JAK3 P52333 1/20 0.51
CDK4 P11802 1/20 0.51
CDK2 P24941 1/20 0.51
SYK P43405 1/20 0.51
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
MAPT P10636 1/20 0.50
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL3520471 0.95 IKBKB (0.59) POLBNPSR1IKBKBCHUKKMT2A
SCHEMBL3521975 0.93 POLB (0.54) POLBNPSR1IKBKBCHUKKMT2A
SCHEMBL3518248 0.91 JAK2 (0.56) POLBIKBKBCHUKKMT2AJAK2
SCHEMBL3519561 0.91 JAK2 (0.59) POLBIKBKBCHUKKMT2AJAK2
SCHEMBL3522490 0.90 JAK2 (0.51) POLBNPSR1IKBKBKMT2AJAK2
SCHEMBL3522695 0.90 JAK2 (0.54) POLBNPSR1IKBKBKMT2AJAK2
SCHEMBL3522180 0.88 JAK2 (0.54) POLBIKBKBKMT2AJAK2JAK3
SCHEMBL3518636 0.87 JAK2 (0.50) POLBNPSR1IKBKBJAK2JAK3
SCHEMBL3518974 0.87 IKBKB (0.56) POLBIKBKBCHUKKMT2AJAK2
SCHEMBL3521529 0.87 IKBKB (0.54) POLBIKBKBKMT2AJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 POLB 203/4885NPSR1 284/4885IKBKB 3246/4885

“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.