SCHEMBL3402923

SCHEMBL3402923

CC(=O)Nc1ccnc(COS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ CDK1 P06493 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ RORC P51449 1/20 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
SCHEMBL30000904 0.83 ATR (0.44) ALDH1A1PRKCI
SCHEMBL9687654 0.81 PRKCI (0.43) ALDH1A1KDM5AKDM4CKDM5BPRKCI
SCHEMBL7664017 0.77 PRKCI (0.47) ALDH1A1KDM5AKDM4CKDM5BPRKCI
SCHEMBL3401753 0.77 PRKCI (0.47) ALDH1A1KDM5AKDM4CKDM5BPRKCI
SCHEMBL23015823 0.77 PRKCI (0.61) ALDH1A1KDM5AKDM4CKDM5BPRKCI
SCHEMBL11614989 0.76 PRKCI (0.49) ALDH1A1KDM5AKDM4CKDM5BPRKCI
SCHEMBL348768 0.76 KDM4E (0.49) ALDH1A1KDM5AKDM4CKDM5BL3MBTL1
SCHEMBL17442671 0.75 KDM4D (0.47) ALDH1A1KDM5AKDM4CKDM5BKDM4E
SCHEMBL1346607 0.75 PIK3C3 (0.47) L3MBTL1
Hydrochloric Acid SCHEMBL10889082 0.75 KMT2A (0.46) ALDH1A1KDM5AKDM4CKDM5BPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 ALDH1A1 1389/4885CDK1 89/4885ATM 1135/4885

“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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