SCHEMBL1286945

SCHEMBL1286945

Nc1nc2c(ncn2-c2ccccc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 1.00
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
PNP P00491 4/20 0.61
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DHFR P00374 3/20 0.51
EGFR P00533 1/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
TK1 P04183 1/20 0.48

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
Hydrochloric Acid SCHEMBL21799342 0.99 XDH (0.97) XDHMEN1KMT2APNPKDM4E
SCHEMBL27881952 0.86 XDH (0.76) XDHMEN1KMT2APNPKDM4E
SCHEMBL3761457 0.86 XDH (1.00) XDHMEN1KMT2APNPPI4KA
SCHEMBL3310025 0.86 XDH (0.76) XDHMEN1KMT2APNPDHFR
SCHEMBL15542829 0.84 XDH (0.76) XDHMEN1KMT2APNPTK1
SCHEMBL8537126 0.84 XDH (1.00) XDHMEN1KMT2APNP
SCHEMBL3759472 0.82 XDH (0.70) XDHMEN1KMT2APNPKDM4E
SCHEMBL637360 0.81 XDH (0.67) XDHMEN1KMT2APNPDHFR
SCHEMBL11610794 0.79 XDH (0.69) XDHMEN1KMT2APNPTK1
SCHEMBL1899765 0.78 XDH (0.64) XDHMEN1KMT2APNPTK1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115128195-B LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-11-15 CN claimed
WO-2012047630-A2 N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE TEINTZE MARTIN (US) 2012-04-12 WO claimed
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP claimed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP claimed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO claimed
CN-119998660-A Compositions and methods for polypeptide analysis 宽腾矽公司 2025-05-13 CN disclosed
CN-115504909-A Benzoylguanidine derivative and preparation method and application thereof 青岛海洋生物医药研究院 2022-12-23 CN disclosed
US-11044912-B2 Branched polymeric biguanide compounds and their uses CHEN HWANG HSING (US) 2021-06-29 US disclosed
US-10813911-B2 Methods of treating and/or preventing chronic obstructive pulmonary disease UNIV BORDEAUX (FR) 2020-10-27 US disclosed
EP-3621952-A1 METHOD FOR THE PRODUCTION OF PHENYLGUANIDINES OR THE SALTS THEREOF AlzChem Trostberg GmbH (DE) 2020-03-18 EP disclosed
US-20190373895-A1 BRANCHED POLYMERIC BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2019-12-12 US disclosed
WO-2019010201-A1 SMALL MOLECULE ADAPTER REGULATED YALE UNIVERSITY (US) 2019-01-10 WO disclosed
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
US-5646155-A ADMINISTERING A 9-SUBSTITUTED-N2-PHENYLGUANINE DERIVATIVE UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-07-08 US disclosed
US-5646155-A ADMINISTERING A 9-SUBSTITUTED-N2-PHENYLGUANINE DERIVATIVE UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-07-08 US disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 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 (2 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-11044912-B2 Branched polymeric biguanide compounds and their uses PUF60, XRCC6, PCNA XDH 1954/4885MEN1 975/4885KMT2A 1286/4885
US-20190373895-A1 BRANCHED POLYMERIC BIGUANIDE COMPOUNDS AND THEIR USES PUF60, XRCC6, PCNA XDH 1954/4885MEN1 975/4885KMT2A 1286/4885

“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.