SCHEMBL20515223

SCHEMBL20515223

NC(=O)c1cc(OCCC2CCNCC2)cc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.48
▸ DHODH Q02127 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ FRK P42685 1/20 0.42
▸ MAP4K2 Q12851 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ MINK1 Q8N4C8 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ ALK Q9UM73 1/20 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
SCHEMBL18249536 0.83 SLC6A2 (0.43) CHEK2DHODHITGB3ITGA2BSLC6A2
SCHEMBL18257165 0.80 ALDH1A1 (0.48) CHEK2DHODHITGB3ITGA2B
SCHEMBL14334507 0.79 AURKA (0.46) CHEK2PARP1IRAK4MKNK2ITGB3
SCHEMBL20515229 0.78 PARP1 (0.52) PARP1IRAK4MKNK2PIM1PLK4
SCHEMBL18257170 0.75 TMEM97 (0.51) PIM2
SCHEMBL18257171 0.75 TMEM97 (0.59) —
SCHEMBL20515224 0.72 PARP1 (0.58) PARP1IRAK4MKNK2PIM1PLK4
SCHEMBL29923698 0.72 PARP1 (0.58) PARP1IRAK4MKNK2PIM1PLK4
Hydrochloric Acid SCHEMBL31753377 0.72 CHEK2 (0.53) CHEK2DHODHITGB3ITGA2B
Hydrochloric Acid SCHEMBL31752567 0.72 CHEK2 (0.53) CHEK2DHODHITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 — — 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 (2 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT CHEK2 799/4885DHODH 833/4885PARP1 70/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 CHEK2 1544/4885DHODH 726/4885PARP1 138/4885

“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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