SCHEMBL4014038

SCHEMBL4014038

Cc1ccccc1CNC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
CA2 P00918 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CHRM2 P08172 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ASAH1 Q13510 1/20 0.43

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
SCHEMBL17198747 0.86 KMT2A (0.49) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL8874118 0.84 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EKMT2AGAA
Hydrochloric Acid SCHEMBL30496734 0.83 KMT2A (0.47) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL7428611 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL24211765 0.81 HPGD (0.44) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL10310457 0.81 TAAR1 (0.50) ALDH1A1HPGDKDM4EKMT2AHTT
SCHEMBL30496716 0.81 TAAR1 (0.50) ALDH1A1HPGDKDM4EKMT2AHTT
SCHEMBL5523322 0.81 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL1244426 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL12139528 0.81 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EKMT2AGAA

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 24 patents — showing the first 20. 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
WO-2009089053-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-16 WO 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
WO-2009089053-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-16 WO disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US 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 (5 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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 ALDH1A1 3654/4885HPGD 2180/4885KDM4E 2410/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885HPGD 2441/4885KDM4E 1371/4885
US-20090203702-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 ALDH1A1 3189/4885HPGD 1371/4885KDM4E 3426/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 ALDH1A1 1471/4885HPGD 507/4885KDM4E 659/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 ALDH1A1 3189/4885HPGD 1371/4885KDM4E 3426/4885

“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.