SCHEMBL1661916

SCHEMBL1661916

NCC(c1ccncc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
AKT1 P31749 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3400559 0.93 HTR2A (0.73) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16463044 0.82 P2RX7 (0.47) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3398977 0.80 HTR2A (0.48) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3401636 0.80 HTR2A (0.48) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16474266 0.80 AKT1 (0.41) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16461560 0.78 P2RX7 (0.50) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6890882 0.78 SLC6A2 (0.49) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3522772 0.77 DPP4 (0.48) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
SCHEMBL3851200 0.77 TAAR1 (0.60) TAAR1SLC6A2SLC6A4SLC6A3LOXL2
SCHEMBL25532686 0.77 DPP4 (0.48) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
WO-2016024131-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL INNOVATIONS LIMITED (GB) 2016-02-18 WO disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 US disclosed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 US disclosed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US disclosed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed
US-6037343-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
EP-0796098-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0796098-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-24 EP disclosed
WO-1996019223-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 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 (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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 HTR2A 4722/4885TAAR1 4114/4885SLC6A2 4434/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HTR2A 3407/4885TAAR1 3263/4885SLC6A2 4346/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HTR2A 3407/4885TAAR1 3263/4885SLC6A2 4346/4885

“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.