SCHEMBL4207679

SCHEMBL4207679

Cc1nc2c(sc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.67
PIM2 Q9P1W9 11/20 0.67
MAPT P10636 2/20 0.47
EGFR P00533 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PIM3 Q86V86 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
SCHEMBL4205641 0.83 PIM1 (0.71) PIM1PIM2PIM3
SCHEMBL4208072 0.78 PARP1 (0.57) PIM1PIM2MAPTEGFRALDH1A1
SCHEMBL29839746 0.74 PARP1 (0.57) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2257236 0.74 PARP1 (0.57) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL11537464 0.72 PARP1 (0.55) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL13698355 0.71 EGFR (0.47) MAPTEGFRALDH1A1SMN1; SMN2HTT
SCHEMBL7428429 0.71 PARP1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAPARP1
SCHEMBL11118149 0.70 SMN1; SMN2 (0.50) MAPTEGFRALDH1A1SMN1; SMN2HTT
SCHEMBL525453 0.70 PARP1 (0.50) MAPTALDH1A1SMN1; SMN2PARP1TNKS
SCHEMBL7216819 0.68 EGFR (0.61) MAPTEGFRALDH1A1SMN1; SMN2POLB

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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885MAPT 4339/4885

“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.