SCHEMBL6443993

SCHEMBL6443993

Nc1cnc(-c2[c]nccc2)nc1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1198354 0.72 CYP2A6 (0.37) LMNAKDM4EALOX15
SCHEMBL28358102 0.72 KMT2A (0.30)
SCHEMBL28440150 0.70 HSP90AA1 (0.36) LMNAPOLBKDM4EALOX15L3MBTL1
SCHEMBL29859251 0.69 LMNA (0.61) LMNAPOLBKDM4EALOX15
SCHEMBL183634 0.69 KDM4E (0.33) KDM4E
SCHEMBL4909130 0.69
Hydrochloric Acid SCHEMBL6470320 0.68 NPC1 (0.47) LMNAPOLB
SCHEMBL482479 0.67 NPC1 (0.50) LMNAPOLB
SCHEMBL5695902 0.67
SCHEMBL11004346 0.66 LMNA (0.40) LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432713-A4 FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS ESSENTIAL THERAPEUTICS INC (US) 2005-05-11 EP disclosed
EP-1432713-A2 FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS Essential Therapeutics, Inc. (US) 2004-06-30 EP disclosed
US-20030176436-A1 Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof ALA PAUL J (DE) 2003-09-18 US disclosed
WO-2003002064-A2 FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS ESSENTIAL THERAPEUTICS, INC. (US) 2003-01-09 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-20030176436-A1 Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof DHFR, DHODH, DPYD LMNA 4825/4885POLB 240/4885KDM4E 1009/4885

“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.