SCHEMBL4227036

SCHEMBL4227036

O=C(c1ccccc1)c1ccnc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.52
PBRM1 Q86U86 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.46
KDM4A O75164 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
SRD5A2 P31213 1/20 0.45
RAB9A P51151 4/20 0.45
VCAM1 P19320 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27623752 0.90 RECQL (0.47) KMT2AMEN1ALDH1A1KDM4EKDM4C
SCHEMBL10633320 0.90 MEN1 (0.47) KMT2AMEN1ATMTDP1L3MBTL1
SCHEMBL10633345 0.85 SRD5A2 (0.52) KMT2ASRD5A2HPGDHTTSMN1; SMN2
SCHEMBL18228667 0.83 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL31219244 0.82 KDM4C (0.65) KMT2AMEN1ATMTDP1L3MBTL1
SCHEMBL10633305 0.82 LTA4H (0.59) KMT2AATMALDH1A1KDM4EKDM4C
SCHEMBL20892726 0.82 LMNA (0.55) ALDH1A1SRD5A2RAB9AHTTSMN1; SMN2
SCHEMBL20892408 0.82 LMNA (0.59) KMT2AMEN1L3MBTL1SRD5A2RAB9A
SCHEMBL40123 0.80 KDM4C (0.61) ALDH1A1KDM4EKDM4CKDM6BKDM4A
SCHEMBL27160486 0.79 SRD5A2 (0.57) SRD5A2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339544-A1 Epidermal growth factor receptor inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2020-10-29 US disclosed
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
WO-2019070167-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2019-04-11 WO disclosed
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 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 (3 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885MEN1 3565/4885ATM 4351/4885
US-20200339544-A1 Epidermal growth factor receptor inhibitors EGFR, ERBB2, ERBB3 KMT2A 4748/4885MEN1 2869/4885ATM 2305/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885MEN1 3565/4885ATM 4351/4885

“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.