SCHEMBL3391755

SCHEMBL3391755

CC(C)c1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.42
▸ TYMS P04818 4/20 0.39
▸ PNP P00491 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21161637 0.81 TYMS (0.37) TYMS
SCHEMBL21161155 0.79 GPR84 (0.41) TYMSPNP
SCHEMBL12820951 0.78 DYRK1A (0.46) DYRK1ATYMS
SCHEMBL7851229 0.78 TYMS (0.40) DYRK1ATYMSPNPALDH1A1
SCHEMBL7851227 0.78 TYMS (0.38) DYRK1ATYMSPNP
SCHEMBL7853357 0.77 TYMS (0.51) TYMS
SCHEMBL18520454 0.76 DYRK1A (0.47) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL21161374 0.75 TYMS (0.49) TYMS
SCHEMBL24704369 0.75 DYRK1A (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL12884842 0.75 TYMS (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1

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-11807851-B1 Modified polynucleotides and uses thereof ULTIMA GENOMICS, INC. (US) 2023-11-07 — — US disclosed
US-20190194228-A1 NEW 1,2,4-TRIAZOLO-[3,4-b]-1,3,4-THIADIAZOLE DERIVATIVES ENERGONBIO TECHNOLOGIES S.A. (GR) 2019-06-27 — — US disclosed
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 — — CN disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 — — CN disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 — — EP disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 — — US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 — — US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 — — CN disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 — — US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 — — EP disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 — — US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 — — 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 (4 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 DYRK1A 3094/4885TYMS 502/4885PNP 1074/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 DYRK1A 3094/4885TYMS 502/4885PNP 1074/4885
US-11807851-B1 Modified polynucleotides and uses thereof PNKP, CPSF1, DCLRE1B DYRK1A 3843/4885TYMS 441/4885PNP 32/4885
US-20190194228-A1 NEW 1,2,4-TRIAZOLO-[3,4-b]-1,3,4-THIADIAZOLE DERIVATIVES CYP4B1, CYP3A4, CYP1B1 DYRK1A 2805/4885TYMS 69/4885PNP 3068/4885

“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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