SCHEMBL21768328

SCHEMBL21768328

Nc1nc2nc[nH]c2c(=O)n1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.48
DPP4 P27487 1/20 0.47
PIK3CG P48736 7/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.46
PIK3CD O00329 3/20 0.40
PNP P00491 2/20 0.40
PDPK1 O15530 1/20 0.39
GDA Q9Y2T3 1/20 0.39
BRAF P15056 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL11610799 0.85 DPP4 (0.44) DPP4PIK3CGPIK3CDPNPPDPK1
SCHEMBL637361 0.84 PDE4D (0.50) HCAR1PIK3CGPOLBPIK3CDPNP
SCHEMBL1286959 0.83 HCAR1 (0.49) HCAR1DPP4PIK3CGRECQLPOLB
SCHEMBL1286947 0.81 MAPK1 (0.51) HCAR1DPP4PIK3CGPIK3CDPNP
SCHEMBL21768327 0.80 HCAR1 (0.49) HCAR1PIK3CGRECQLPOLBPNP
Hydrochloric Acid SCHEMBL21799343 0.80 MAPK1 (0.50) HCAR1DPP4PIK3CGPIK3CDPNP
SCHEMBL1286923 0.77 GSR (0.36) HCAR1DPP4PIK3CGRECQLPOLB
SCHEMBL17186410 0.76 TNF (0.49) DPP4PNPPDE4APDE4BPDE4C
SCHEMBL1286944 0.75 PNP (0.38) DPP4POLBPIK3CDPNPPDE4A
Hydrochloric Acid SCHEMBL17186309 0.75 TNF (0.48) DPP4PNPPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3616687-B1 PREPARATION FOR THE TREATMENT AND/OR PROPHYLAXIS OF INFLAMMATORY INFECTIOUS DISEASES Lovtsov Valentin Vyacheslavovich (RU) 2023-11-29 EP disclosed
CN-116133654-A Methods and compositions for treating fungal infections 纽库利私人有限公司 2023-05-16 CN disclosed
CN-115991659-A Method and product suitable for detecting content of chlorobenzoguanidine in veterinary drug preparation 北京维德维康生物技术有限公司 2023-04-21 CN disclosed
EP-3701942-A1 SOLUBILIZATION OF CHLORHEXIDINE BASE, ANITSEPTIC COMPOSITION AND DISINFECTANT COMPOSITION The Limited Liability Company "Sun Systems" (RU) 2020-09-02 EP disclosed
US-20200206165-A1 SOLUBILIZATION OF CHLORHEXIDINE BASE, ANTISEPTIC OR DISINFECTANT COMPOSITIONS LIMITED LIABILITY COMPANY "SUN SYSTEMS" [RU/RU] (RU) 2020-07-02 US disclosed
EP-3616687-A2 PREPARATION FOR THE TREATMENT AND/OR PROPHYLAXIS OF INFLAMMATORY INFECTIOUS DISEASES Lovtsov, Valentin Vyacheslavovich (RU) 2020-03-04 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-20200206165-A1 SOLUBILIZATION OF CHLORHEXIDINE BASE, ANTISEPTIC OR DISINFECTANT COMPOSITIONS POLR1C, POLH, ADAR HCAR1 566/4885DPP4 1488/4885PIK3CG 1230/4885

“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.