SCHEMBL8337347

SCHEMBL8337347

N=C(N)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CD274 Q9NZQ7 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL28128906 0.98 CA12 (0.54) CA12CA1CA2CA9GAA
Sulfuric Acid SCHEMBL11367139 0.92 GAA (0.49) CA12CA1CA2CA9GAA
SCHEMBL6206098 0.89 GAA (0.66) GAATSHRHPGDDUSP3KDM4E
SCHEMBL18624766 0.86 CA12 (0.50) CA12CA1CA2CA9GAA
Hydrochloric Acid SCHEMBL17186287 0.84 CA12 (0.49) CA12CA1CA2CA9GAA
SCHEMBL28535282 0.82 CA12 (0.58) CA12CA1CA2CA9GAA
Sulfuric Acid SCHEMBL5471375 0.82 GAA (0.61) GAATSHRHPGDDUSP3KDM4E
Sulfuric Acid SCHEMBL11729680 0.82 GAA (0.57) GAATSHRHPGDDUSP3KDM4E
SCHEMBL10310276 0.82 CA12 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL9505845 0.81 CA12 (0.53) CA12CA1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-7491731-B2 Crystal structure of liganded cFMS kinase domain SMITHKLINE BEECHAM CORPORATION (US) 2009-02-17 US disclosed
US-7491731-B2 Crystal structure of liganded cFMS kinase domain SMITHKLINE BEECHAM CORPORATION (US) 2009-02-17 US disclosed
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain SHEWCHUK LISA M 2007-01-11 US disclosed
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain SHEWCHUK LISA M 2007-01-11 US disclosed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 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-20070010540-A1 Crystal structure of liganded cFMS kinase domain FAM20C, FRS2, FRK CA12 4431/4885CA1 4757/4885CA2 2330/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 CA12 4842/4885CA1 4831/4885CA2 3758/4885

“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.