SCHEMBL4978576

SCHEMBL4978576

Cc1ccc(Nc2nccc(NCc3ccc4c(c3)nc(NC3CCCCC3)n4C)n2)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.47
▸ CSF1R P07333 4/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ AURKA O14965 2/20 0.42
▸ ULK2 Q8IYT8 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ BRAF P15056 2/20 0.40
▸ ACHE P22303 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ TXK P42681 2/20 0.39
▸ SYK P43405 2/20 0.39

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 SCHEMBL4981622 0.99 BTK (0.47) BTKCSF1RTYK2AURKBAURKA
SCHEMBL4978243 0.87 BTK (0.51) BTKCSF1RTYK2AURKBAURKA
Hydrochloric Acid SCHEMBL4979291 0.86 BTK (0.50) BTKCSF1RTYK2AURKBAURKA
SCHEMBL4976707 0.85 BTK (0.51) BTKCSF1RTYK2AURKBAURKA
SCHEMBL4981895 0.85 BTK (0.50) BTKCSF1RTYK2AURKBAURKA
SCHEMBL4980837 0.85 BTK (0.50) BTKCSF1RTYK2AURKBAURKA
Hydrochloric Acid SCHEMBL4976684 0.85 BTK (0.50) BTKCSF1RTYK2AURKBAURKA
SCHEMBL4982197 0.85 BTK (0.50) BTKCSF1RTYK2AURKBAURKA
Hydrochloric Acid SCHEMBL4980298 0.84 BTK (0.49) BTKCSF1RTYK2AURKBAURKA
Hydrochloric Acid SCHEMBL4980031 0.84 BTK (0.49) BTKCSF1RTYK2AURKBAURKA

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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR BTK 895/4885CSF1R 501/4885TYK2 451/4885

“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.

Send feedback