SCHEMBL13336175

SCHEMBL13336175

Cn1cc(-c2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(OCCO)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ TTK P33981 11/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CCNT1 O60563 3/20 0.38
▸ CCNB2 O95067 3/20 0.38
▸ CCNE2 O96020 3/20 0.38
▸ CDK1 P06493 3/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ CCNE1 P24864 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ CCNB3 Q8WWL7 3/20 0.38
▸ TYRO3 Q06418 1/20 0.36

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
SCHEMBL13336284 0.92 CDK2 (0.40) JAK1JAK2TYK2JAK3TTK
SCHEMBL13336315 0.89 PDK2 (0.40) JAK1JAK2FLT3AURKBTYK2
SCHEMBL13336195 0.87 JAK1 (0.39) JAK1JAK2FLT3AURKBTYK2
SCHEMBL13336170 0.84 MAP4K1 (0.42) JAK1FLT3TYK2JAK3TTK
SCHEMBL13336281 0.82 CDK2 (0.40) JAK1JAK2TYK2JAK3TTK
SCHEMBL13336071 0.82 MAP4K3 (0.42) JAK1JAK2TYK2JAK3TTK
SCHEMBL13336056 0.81 CHEK1 (0.47) JAK1JAK2FLT3TYK2JAK3
SCHEMBL13336133 0.81 CHEK1 (0.47) JAK1JAK2FLT3TYK2JAK3
SCHEMBL13336309 0.80 CHEK1 (0.44) JAK1JAK2TYK2JAK3TTK
SCHEMBL13336279 0.79 AXL (0.41) JAK1JAK2TYK2JAK3TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — 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 (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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 JAK1 1597/4885JAK2 1056/4885FLT3 1249/4885

“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.

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