SCHEMBL4874490

SCHEMBL4874490

N#Cc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.82
HRH2 P25021 4/20 0.77
HRH1 P35367 4/20 0.77
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
PSMB2 P49721 1/20 0.63
LTA4H P09960 7/20 0.61
PTGS2 P35354 3/20 0.59
KDM4E B2RXH2 1/20 0.59
PTGS1 P23219 1/20 0.59
KCNA5 P22460 1/20 0.59
CACNA1B Q00975 1/20 0.59

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
SCHEMBL227297 0.98 HRH3 (0.85) HRH3HRH2HRH1PSMB1PSMB5
SCHEMBL1714312 0.93 HRH3 (0.71) HRH3HRH2HRH1KCNA5
SCHEMBL491845 0.92 HRH3 (0.97) HRH3HRH2HRH1CACNA1B
SCHEMBL5855947 0.90 HRH3 (0.94) HRH3HRH2HRH1CACNA1B
SCHEMBL492096 0.90 HRH3 (1.00) HRH3HRH2HRH1CACNA1B
SCHEMBL491825 0.90 HRH3 (1.00) HRH3HRH2HRH1CACNA1B
SCHEMBL5276568 0.90 HRH3 (1.00) HRH3HRH2HRH1CACNA1B
SCHEMBL491835 0.89 HRH3 (1.00) HRH3HRH2HRH1
SCHEMBL5856351 0.89 HRH3 (0.97) HRH3HRH2HRH1CACNA1B
SCHEMBL5623066 0.88 HRH3 (0.79) HRH3HRH2HRH1KCNA5CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288382-B2 Diaminothiazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-16 US disclosed
US-20110092502-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-21 US disclosed
US-7879856-B2 5-(quinoxalin-2-yl)-N2-(3,4,5-trimethoxyphenyl)thiazole-2,4-diamine; useful in inhibiting the activity of the receptor protein tyrosine kinase Axl; rheumatoid arthritis, vascular disease, vascular injury, psoriasis, visual impairment due to macular degeneration, diabetic retinopathy, retinopathy RIGEL PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-7432293-B2 Heterocyclic compounds useful as Nurr-1 activators NOVARTIS AG (CH) 2008-10-07 US disclosed
US-20080227789-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-09-18 US disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
EP-1597243-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072050-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS NOVARTIS AG (CH) 2004-08-26 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-20110092502-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK HRH3 931/4885HRH2 964/4885HRH1 1334/4885
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 HRH3 526/4885HRH2 978/4885HRH1 830/4885
US-20080227789-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK HRH3 931/4885HRH2 964/4885HRH1 1334/4885

“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.