SCHEMBL4071205

SCHEMBL4071205

NCCCOc1cccc(-c2ncnc3[nH]cnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 2/20 0.42
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ PRKACA P17612 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PRKACB P22694 1/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ SYK P43405 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL3928813 0.78 AKT2 (0.67) AKT2PRKACAPRKACGPRKACBMAP4K4
SCHEMBL2938674 0.73 JAK2 (0.54) AKT2JAK2JAK3PRKACAPRKACG
SCHEMBL3930183 0.72 AKT2 (0.67) AKT2JAK2JAK3NOS3NOS1
SCHEMBL18486378 0.71 TOP2A (0.49) —
SCHEMBL10682119 0.70 LTA4H (0.55) —
SCHEMBL3928894 0.69 AKT2 (0.63) AKT2PRKACAPRKACGPRKACBSMN1; SMN2
SCHEMBL17489713 0.67 CDK5 (0.47) JAK3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL15244947 0.66 SMN1; SMN2 (0.46) NOS3NOS1NOS2SMN1; SMN2CYP1A2
SCHEMBL28780888 0.66 JAK2 (0.36) AKT2JAK2PRKACAPRKACGPRKACB
SCHEMBL4870398 0.66 CYP19A1 (0.54) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 — — US disclosed
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 — — EP disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 — — 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 (3 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 AKT2 153/4885JAK2 70/4885JAK3 15/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885JAK2 420/4885JAK3 297/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 AKT2 999/4885JAK2 421/4885JAK3 95/4885

“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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