SCHEMBL16484126

SCHEMBL16484126

CCC[C@@H](CCO)Nc1nc(N)nc2ccn(CC3CCC3)c12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.53
▸ TLR7 Q9NYK1 4/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.46

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
SCHEMBL19910325 1.00 KCNH2 (0.53) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL19910213 0.97 KCNH2 (0.52) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL16483508 0.97 KCNH2 (0.52) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL20901241 0.94 KCNH2 (0.54) KCNH2TLR7TLR8
SCHEMBL16484026 0.94 KCNH2 (0.54) KCNH2TLR7TLR8
SCHEMBL18511625 0.89 KCNH2 (0.39) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL19910207 0.87 TLR7 (0.49) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL16484142 0.87 TLR7 (0.49) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL18511630 0.86 KCNH2 (0.39) KCNH2TLR7CYP2D6DRD1HTR2A
SCHEMBL18511621 0.83 KCNH2 (0.41) KCNH2TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220504-B2 Pyrrolo[3,2-d] pyrimidine derivatives for the treatment of viral infections and other diseases Janssen Sciences Ireland Unlimited Company (IE) 2022-01-11 — — US disclosed
US-20190330217-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-10-31 — — US disclosed
US-10259814-B2 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2019-04-16 — — US disclosed
EP-2906563-B1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2018-02-28 — — EP disclosed
US-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2017-02-16 — — US disclosed
US-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2017-02-16 — — US disclosed
US-9499549-B2 Pyrrolo[3,2-]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2016-11-22 — — US disclosed
US-9499549-B2 Pyrrolo[3,2-]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2016-11-22 — — US disclosed
US-20150239892-A1 Pyrrolo[3,2-]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN R&D IRELAND (IE) 2015-08-27 — — US disclosed
US-20150239892-A1 Pyrrolo[3,2-]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN R&D IRELAND (IE) 2015-08-27 — — US disclosed
WO-2014056953-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-04-17 — — 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 (5 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-11220504-B2 Pyrrolo[3,2-d] pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD KCNH2 3492/4885TLR7 1485/4885CYP2D6 803/4885
US-20150239892-A1 Pyrrolo[3,2-]pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD KCNH2 3698/4885TLR7 1165/4885CYP2D6 833/4885
US-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD KCNH2 3492/4885TLR7 1485/4885CYP2D6 803/4885
US-10259814-B2 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD KCNH2 3492/4885TLR7 1485/4885CYP2D6 803/4885
US-20190330217-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER DISEASES TYMS, TYMP, DPYD KCNH2 3492/4885TLR7 1485/4885CYP2D6 803/4885

“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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