SCHEMBL6416401

SCHEMBL6416401

CCCCc1nc(N)nc(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.42
HEXA P06865 4/20 0.41
HEXB P07686 4/20 0.41
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 3/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 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
SCHEMBL12496379 0.80 TLR8 (0.47) TLR8TLR7NOS2SMN1; SMN2
SCHEMBL19242058 0.80 HEXA (0.47) DHFRHEXAHEXBALDH1A1MEN1
SCHEMBL6415564 0.78 TLR8 (0.39) DHFRTLR8TLR7GABRPGABRD
SCHEMBL13451266 0.76 DHFR (0.35) DHFRHEXAHEXBTLR8TLR7
SCHEMBL28043913 0.76 TLR8 (0.44) DHFRHEXAHEXBTLR8TLR7
SCHEMBL6416413 0.76 TLR8 (0.56) TLR8TLR7
SCHEMBL3830025 0.75 TLR8 (0.49) DHFRTLR8TLR7LMNASMN1; SMN2
Water SCHEMBL28123348 0.74 TLR8 (0.49) DHFRTLR8TLR7
SCHEMBL1091936 0.73 DHFR (0.47) DHFRHEXAHEXBTLR8TLR7
SCHEMBL12495463 0.73 TLR8 (0.47) DHFRTLR8TLR7ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951866-B2 Bicyclic pyrimidine compounds and therapeutic use thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-10-04 US disclosed
EP-1110951-B1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-05-19 EP disclosed
US-20030105323-A1 Pyrimidine derivative SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-06-05 US disclosed
US-6458798-B1 HAS AN INHIBITORY ACTIVITY OF PRODUCTION OF TH2 TYPE CYTOKINES SUCH AS IL-4, IL-5, ETC., AND IS USEFUL AS AN THERAPEUTIC AGENT FOR ALLERGIC DISEASES, AUTOIMMUNE DISEASES SUCH AS SYSTEMIC LUPUS ERYTHEMATHOSUS, ETC., AND ACQUIRED SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-10-01 US disclosed
EP-1110951-A1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-27 EP 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-20030105323-A1 Pyrimidine derivative IL5, IL4, IL15 DHFR 161/4885HEXA 1095/4885HEXB 1292/4885

“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.